Name: Name:1-(3-methylbutyl)-5-(propan-2-yl)-1H-pyrazole-4-carboxylic acid
Brand: Angene
SKU: AG01BDC7
Rating: 90 (10 reviews)

1-(3-methylbutyl)-5-(propan-2-yl)-1H-pyrazole-4-carboxylic acid

CAS No.:

1250386-38-9

Catalog Number:

AG01BDC7

Molecular Formula:

C12H20N2O2

Molecular Weight:

224.2994

Catalog Number:

AG01BDC7

Chemical Name:

1-(3-methylbutyl)-5-(propan-2-yl)-1H-pyrazole-4-carboxylic acid

CAS Number:

1250386-38-9

Molecular Formula:

C12H20N2O2

Molecular Weight:

224.2994

MDL Number:

MFCD14661893

IUPAC Name:

1-(3-methylbutyl)-5-propan-2-ylpyrazole-4-carboxylic acid

InChI:

InChI=1S/C12H20N2O2/c1-8(2)5-6-14-11(9(3)4)10(7-13-14)12(15)16/h7-9H,5-6H2,1-4H3,(H,15,16)

InChI Key:

IDTHVNQVYDPZCC-UHFFFAOYSA-N

SMILES:

CC(c1n(CCC(C)C)ncc1C(=O)O)C

Complexity:

241

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

224.152g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

224.304g/mol

Monoisotopic Mass:

224.152g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.5