2-(5-cyclopropyl-1,3-dimethylpyrazol-4-yl)acetic acid

C10H14N2O2 — CID 123181406

IUPAC2-(5-cyclopropyl-1,3-dimethylpyrazol-4-yl)acetic acid
SMILESCc1nn(C)c(C2CC2)c1CC(=O)O
InChIInChI=1S/C10H14N2O2/c1-6-8(5-9(13)14)10(7-3-4-7)12(2)11-6/h7H,3-5H2,1-2H3,(H,13,14)
InChIKeyJSVGCLKIULSPPT-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.23
Rot. Bonds3

About 2-(5-cyclopropyl-1,3-dimethylpyrazol-4-yl)acetic acid

2-(5-cyclopropyl-1,3-dimethylpyrazol-4-yl)acetic acid (PubChem CID 123181406) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-(5-cyclopropyl-1,3-dimethylpyrazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(5-cyclopropyl-1,3-dimethylpyrazol-4-yl)acetic acid
PubChem CID123181406
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name2-(5-cyclopropyl-1,3-dimethylpyrazol-4-yl)acetic acid
SMILESCc1nn(C)c(C2CC2)c1CC(=O)O
InChIInChI=1S/C10H14N2O2/c1-6-8(5-9(13)14)10(7-3-4-7)12(2)11-6/h7H,3-5H2,1-2H3,(H,13,14)
InChIKeyJSVGCLKIULSPPT-UHFFFAOYSA-N
XLogP1.23
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanoic acid
CID 3157816
2-[3,5-dimethyl-1-(2-methylpropyl)-1H-pyrazol-4-yl]acetic acid
CID 7131172
2H-Indazole-3-acetic acid, 4,5,6,7-tetrahydro-2-methyl-
CID 210809
2-(trimethyl-1H-pyrazol-4-yl)propanoic acid
CID 23005838
2-(trimethyl-1H-pyrazol-4-yl)acetic acid
CID 16227249
2-methyl-3-(trimethyl-1H-pyrazol-4-yl)propanoic acid
CID 23005992
2-(3,5-diethyl-1-methyl-1H-pyrazol-4-yl)acetic acid
CID 50987849
3-Cyclopropyl-1-methyl-4-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid
CID 58542578
2-[1,5-Diethyl-3-(trifluoromethyl)pyrazol-4-yl]acetic acid
CID 91594510
3-(3,5-diethyl-1-methyl-1H-pyrazol-4-yl)propanoic acid
CID 50987850
3-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]butanoic acid
CID 83389352
3-(1,3-dimethyl-1H-pyrazol-5-yl)-4,4,4-trifluorobutanoic acid
CID 83919051

Frequently Asked Questions

What is the IUPAC name of 2-(5-cyclopropyl-1,3-dimethylpyrazol-4-yl)acetic acid?
The IUPAC name of 2-(5-cyclopropyl-1,3-dimethylpyrazol-4-yl)acetic acid (CID 123181406) is 2-(5-cyclopropyl-1,3-dimethylpyrazol-4-yl)acetic acid.
What is the SMILES notation for 2-(5-cyclopropyl-1,3-dimethylpyrazol-4-yl)acetic acid?
The canonical SMILES for 2-(5-cyclopropyl-1,3-dimethylpyrazol-4-yl)acetic acid is Cc1nn(C)c(C2CC2)c1CC(=O)O.
What is the InChIKey of 2-(5-cyclopropyl-1,3-dimethylpyrazol-4-yl)acetic acid?
The InChIKey is JSVGCLKIULSPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-6-8(5-9(13)14)10(7-3-4-7)12(2)11-6/h7H,3-5H2,1-2H3,(H,13,14).
What are the key properties of 2-(5-cyclopropyl-1,3-dimethylpyrazol-4-yl)acetic acid?
2-(5-cyclopropyl-1,3-dimethylpyrazol-4-yl)acetic acid has a molecular weight of 194.23 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyclopropyl-1,3-dimethylpyrazol-4-yl)acetic acid is sourced from PubChem (CID 123181406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).