2-(2-hydroxy-2-methylpropyl)pyrazole-3-carboxylic acid

C8H12N2O3 — CID 175703524

IUPAC2-(2-hydroxy-2-methylpropyl)pyrazole-3-carboxylic acid
SMILESCC(C)(O)Cn1nccc1C(=O)O
InChIInChI=1S/C8H12N2O3/c1-8(2,13)5-10-6(7(11)12)3-4-9-10/h3-4,13H,5H2,1-2H3,(H,11,12)
InChIKeyBNWODNMPUOWOAZ-UHFFFAOYSA-N
MW184.20 g/mol
LogP0.35
Rot. Bonds3

About 2-(2-hydroxy-2-methylpropyl)pyrazole-3-carboxylic acid

2-(2-hydroxy-2-methylpropyl)pyrazole-3-carboxylic acid (PubChem CID 175703524) has the molecular formula C8H12N2O3 and a molecular weight of 184.20 g/mol. Its IUPAC name is 2-(2-hydroxy-2-methylpropyl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name2-(2-hydroxy-2-methylpropyl)pyrazole-3-carboxylic acid
PubChem CID175703524
Molecular FormulaC8H12N2O3
Molecular Weight184.20 g/mol
Exact Mass184.08
IUPAC Name2-(2-hydroxy-2-methylpropyl)pyrazole-3-carboxylic acid
SMILESCC(C)(O)Cn1nccc1C(=O)O
InChIInChI=1S/C8H12N2O3/c1-8(2,13)5-10-6(7(11)12)3-4-9-10/h3-4,13H,5H2,1-2H3,(H,11,12)
InChIKeyBNWODNMPUOWOAZ-UHFFFAOYSA-N
XLogP0.35
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methyl-2-phenylmethoxypropyl)pyrazole-3-carboxylic acid
CID 137425491
2-propylpyrazole-3-carboxylic acid
CID 7017775
2-[2-(tert-butylamino)-2-oxoethyl]pyrazole-3-carboxylic acid
CID 60780045
2-(carboxymethyl)pyrazole-3-carboxylic acid
CID 19485803
1-[2-(2,2-dimethylpropyl)pyrazol-3-yl]ethanone
CID 84657554
2-(2-methylpropyl)pyrazole-3-carboxylic acid
CID 19619900
2-(3,3,3-trifluoropropyl)pyrazole-3-carboxylic acid
CID 50896725
2-(2-carboxyethyl)pyrazole-3-carboxylic acid
CID 19494074
2-(5-cyano-5-methylhexyl)pyrazole-3-carboxylic acid
CID 106713025
2-[(4-chlorophenyl)methyl]pyrazole-3-carboxylic acid
CID 60780144
2-(4,4,4-trifluorobutyl)pyrazole-3-carboxylic acid
CID 115514375
2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazole-3-carboxylic acid
CID 60780092

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-2-methylpropyl)pyrazole-3-carboxylic acid?
The IUPAC name of 2-(2-hydroxy-2-methylpropyl)pyrazole-3-carboxylic acid (CID 175703524) is 2-(2-hydroxy-2-methylpropyl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 2-(2-hydroxy-2-methylpropyl)pyrazole-3-carboxylic acid?
The canonical SMILES for 2-(2-hydroxy-2-methylpropyl)pyrazole-3-carboxylic acid is CC(C)(O)Cn1nccc1C(=O)O.
What is the InChIKey of 2-(2-hydroxy-2-methylpropyl)pyrazole-3-carboxylic acid?
The InChIKey is BNWODNMPUOWOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-8(2,13)5-10-6(7(11)12)3-4-9-10/h3-4,13H,5H2,1-2H3,(H,11,12).
What are the key properties of 2-(2-hydroxy-2-methylpropyl)pyrazole-3-carboxylic acid?
2-(2-hydroxy-2-methylpropyl)pyrazole-3-carboxylic acid has a molecular weight of 184.20 g/mol, XLogP of 0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-2-methylpropyl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 175703524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).