2-(1,5-dimethylpyrazol-4-yl)-2-hydroxypropanoic acid

C8H12N2O3 — CID 82406813

IUPAC2-(1,5-dimethylpyrazol-4-yl)-2-hydroxypropanoic acid
SMILESCc1c(C(C)(O)C(=O)O)cnn1C
InChIInChI=1S/C8H12N2O3/c1-5-6(4-9-10(5)3)8(2,13)7(11)12/h4,13H,1-3H3,(H,11,12)
InChIKeyPKADPCGANXIIOH-UHFFFAOYSA-N
MW184.19 g/mol
LogP0.02
Rot. Bonds2

About 2-(1,5-dimethylpyrazol-4-yl)-2-hydroxypropanoic acid

2-(1,5-dimethylpyrazol-4-yl)-2-hydroxypropanoic acid (PubChem CID 82406813) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 2-(1,5-dimethylpyrazol-4-yl)-2-hydroxypropanoic acid.

Molecular Properties

Compound Name2-(1,5-dimethylpyrazol-4-yl)-2-hydroxypropanoic acid
PubChem CID82406813
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name2-(1,5-dimethylpyrazol-4-yl)-2-hydroxypropanoic acid
SMILESCc1c(C(C)(O)C(=O)O)cnn1C
InChIInChI=1S/C8H12N2O3/c1-5-6(4-9-10(5)3)8(2,13)7(11)12/h4,13H,1-3H3,(H,11,12)
InChIKeyPKADPCGANXIIOH-UHFFFAOYSA-N
XLogP0.02
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (2S)-2-(1,5-dimethylpyrazol-4-yl)-2-hydroxypropanoate
CID 129386918
2-(1,5-dimethylpyrazol-4-yl)-2,2-difluoroacetic acid
CID 84719460
4-tert-butyl-1,5-dimethylpyrazole;formamide
CID 155706087
2-[(1,5-dimethylpyrazole-4-carbonyl)-methylamino]-2-methylpropanoic acid
CID 62817198
2-hydroxy-2-(1-methylpyrazol-4-yl)propanoic acid
CID 82412575
tert-butyl 1,5-dimethylpyrazole-4-carboxylate
CID 63897009
2-hydroxy-2-(1,4,5-trimethylpyrrol-2-yl)propanoic acid
CID 82399030
(E)-3-(1,5-dimethylpyrazol-4-yl)prop-2-enoic acid
CID 5374061
2-[(1,5-dimethylpyrazole-4-carbonyl)amino]-2-ethylbutanoic acid
CID 79806439
N-(1,5-dimethylpyrazol-4-yl)acetamide
CID 19399796
1,5-dimethylpyrazole-4-sulfonic acid;hydrochloride
CID 174974386
tert-butyl N-(1,5-dimethylpyrazol-4-yl)carbamate
CID 67304447

Frequently Asked Questions

What is the IUPAC name of 2-(1,5-dimethylpyrazol-4-yl)-2-hydroxypropanoic acid?
The IUPAC name of 2-(1,5-dimethylpyrazol-4-yl)-2-hydroxypropanoic acid (CID 82406813) is 2-(1,5-dimethylpyrazol-4-yl)-2-hydroxypropanoic acid.
What is the SMILES notation for 2-(1,5-dimethylpyrazol-4-yl)-2-hydroxypropanoic acid?
The canonical SMILES for 2-(1,5-dimethylpyrazol-4-yl)-2-hydroxypropanoic acid is Cc1c(C(C)(O)C(=O)O)cnn1C.
What is the InChIKey of 2-(1,5-dimethylpyrazol-4-yl)-2-hydroxypropanoic acid?
The InChIKey is PKADPCGANXIIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-5-6(4-9-10(5)3)8(2,13)7(11)12/h4,13H,1-3H3,(H,11,12).
What are the key properties of 2-(1,5-dimethylpyrazol-4-yl)-2-hydroxypropanoic acid?
2-(1,5-dimethylpyrazol-4-yl)-2-hydroxypropanoic acid has a molecular weight of 184.19 g/mol, XLogP of 0.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,5-dimethylpyrazol-4-yl)-2-hydroxypropanoic acid is sourced from PubChem (CID 82406813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).