2-(3,5-dimethyl-4-prop-2-ynylpyrazol-1-yl)acetic acid

C10H12N2O2 — CID 167987589

IUPAC2-(3,5-dimethyl-4-prop-2-ynylpyrazol-1-yl)acetic acid
SMILESC#CCc1c(C)nn(CC(=O)O)c1C
InChIInChI=1S/C10H12N2O2/c1-4-5-9-7(2)11-12(8(9)3)6-10(13)14/h1H,5-6H2,2-3H3,(H,13,14)
InChIKeyDGISETJGWNSDQW-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.76
Rot. Bonds3

About 2-(3,5-dimethyl-4-prop-2-ynylpyrazol-1-yl)acetic acid

2-(3,5-dimethyl-4-prop-2-ynylpyrazol-1-yl)acetic acid (PubChem CID 167987589) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 2-(3,5-dimethyl-4-prop-2-ynylpyrazol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(3,5-dimethyl-4-prop-2-ynylpyrazol-1-yl)acetic acid
PubChem CID167987589
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name2-(3,5-dimethyl-4-prop-2-ynylpyrazol-1-yl)acetic acid
SMILESC#CCc1c(C)nn(CC(=O)O)c1C
InChIInChI=1S/C10H12N2O2/c1-4-5-9-7(2)11-12(8(9)3)6-10(13)14/h1H,5-6H2,2-3H3,(H,13,14)
InChIKeyDGISETJGWNSDQW-UHFFFAOYSA-N
XLogP0.76
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-(3,5-dimethyl-4-prop-2-ynylpyrazol-1-yl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]acetamide
CID 43647536
2-[1-[2-(diethylamino)-2-oxoethyl]-3,5-dimethylpyrazol-4-yl]acetic acid
CID 61294442
2-[1-[2-(cyanomethylamino)-2-oxoethyl]-3,5-dimethylpyrazol-4-yl]acetic acid
CID 61294084
2-[3,5-dimethyl-1-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazol-4-yl]acetic acid
CID 61294263
2-[4-[[(1,5-dimethylpyrazole-4-carbonyl)amino]methyl]-3,5-dimethylpyrazol-1-yl]acetic acid
CID 166376747
ethyl 2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]acetate;dihydrochloride
CID 86767563
methyl 2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]acetate;dihydrochloride
CID 71757186
2-(3-iodo-4,5-dimethylpyrazol-1-yl)acetic acid
CID 70967659
3,5-dimethyl-1-prop-2-ynylpyrazole-4-carboxylic acid
CID 43565541
ethyl 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetate
CID 50888392
2-[3,5-dimethyl-1-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]pyrazol-4-yl]acetic acid
CID 61489186
2-(1-decyl-3,5-dimethylpyrazol-4-yl)acetic acid
CID 62222579

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-4-prop-2-ynylpyrazol-1-yl)acetic acid?
The IUPAC name of 2-(3,5-dimethyl-4-prop-2-ynylpyrazol-1-yl)acetic acid (CID 167987589) is 2-(3,5-dimethyl-4-prop-2-ynylpyrazol-1-yl)acetic acid.
What is the SMILES notation for 2-(3,5-dimethyl-4-prop-2-ynylpyrazol-1-yl)acetic acid?
The canonical SMILES for 2-(3,5-dimethyl-4-prop-2-ynylpyrazol-1-yl)acetic acid is C#CCc1c(C)nn(CC(=O)O)c1C.
What is the InChIKey of 2-(3,5-dimethyl-4-prop-2-ynylpyrazol-1-yl)acetic acid?
The InChIKey is DGISETJGWNSDQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-4-5-9-7(2)11-12(8(9)3)6-10(13)14/h1H,5-6H2,2-3H3,(H,13,14).
What are the key properties of 2-(3,5-dimethyl-4-prop-2-ynylpyrazol-1-yl)acetic acid?
2-(3,5-dimethyl-4-prop-2-ynylpyrazol-1-yl)acetic acid has a molecular weight of 192.22 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-4-prop-2-ynylpyrazol-1-yl)acetic acid is sourced from PubChem (CID 167987589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).