2-(1-cyclopropylpyrazol-4-yl)butanoic acid

C10H14N2O2 — CID 84773136

IUPAC2-(1-cyclopropylpyrazol-4-yl)butanoic acid
SMILESCCC(C(=O)O)c1cnn(C2CC2)c1
InChIInChI=1S/C10H14N2O2/c1-2-9(10(13)14)7-5-11-12(6-7)8-3-4-8/h5-6,8-9H,2-4H2,1H3,(H,13,14)
InChIKeyVYVKFORPQDGYDE-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.80
Rot. Bonds4

About 2-(1-cyclopropylpyrazol-4-yl)butanoic acid

2-(1-cyclopropylpyrazol-4-yl)butanoic acid (PubChem CID 84773136) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-(1-cyclopropylpyrazol-4-yl)butanoic acid.

Molecular Properties

Compound Name2-(1-cyclopropylpyrazol-4-yl)butanoic acid
PubChem CID84773136
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name2-(1-cyclopropylpyrazol-4-yl)butanoic acid
SMILESCCC(C(=O)O)c1cnn(C2CC2)c1
InChIInChI=1S/C10H14N2O2/c1-2-9(10(13)14)7-5-11-12(6-7)8-3-4-8/h5-6,8-9H,2-4H2,1H3,(H,13,14)
InChIKeyVYVKFORPQDGYDE-UHFFFAOYSA-N
XLogP1.80
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(4-ethylcyclohexyl)pyrazol-4-yl]propan-1-ol
CID 64775504
2-[1-(1-ethylazetidin-3-yl)pyrazol-4-yl]propanoic acid
CID 105480591
1-[1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]pyrazole-4-carboxylic acid
CID 129469236
1-[1-(1,1-dioxothiolan-3-yl)pyrazol-4-yl]propan-1-ol
CID 62729829
2-(1-cyclopropylpyrazol-4-yl)propan-1-amine
CID 84764977
1-(1-cycloheptylpyrazol-4-yl)propan-1-amine
CID 82930973
2-(1-methylpyrazol-4-yl)pentanoic acid
CID 83042529
(1R)-2-amino-1-(1-cyclobutylpyrazol-4-yl)ethanol
CID 165499325
2-[1-(oxetan-3-yl)pyrazol-4-yl]propanoic acid
CID 105449709
2-methylsulfanyl-1-[4-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]ethanone
CID 156511021
1-[4-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]hexan-3-one
CID 163401121
3-methyl-1-[4-[4-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]cyclohexyl]butan-2-one
CID 167386802

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropylpyrazol-4-yl)butanoic acid?
The IUPAC name of 2-(1-cyclopropylpyrazol-4-yl)butanoic acid (CID 84773136) is 2-(1-cyclopropylpyrazol-4-yl)butanoic acid.
What is the SMILES notation for 2-(1-cyclopropylpyrazol-4-yl)butanoic acid?
The canonical SMILES for 2-(1-cyclopropylpyrazol-4-yl)butanoic acid is CCC(C(=O)O)c1cnn(C2CC2)c1.
What is the InChIKey of 2-(1-cyclopropylpyrazol-4-yl)butanoic acid?
The InChIKey is VYVKFORPQDGYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-2-9(10(13)14)7-5-11-12(6-7)8-3-4-8/h5-6,8-9H,2-4H2,1H3,(H,13,14).
What are the key properties of 2-(1-cyclopropylpyrazol-4-yl)butanoic acid?
2-(1-cyclopropylpyrazol-4-yl)butanoic acid has a molecular weight of 194.23 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropylpyrazol-4-yl)butanoic acid is sourced from PubChem (CID 84773136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).