1-(3-hydroxycyclopentyl)pyrazole-4-carboxylic acid

C9H12N2O3 — CID 84733356

IUPAC1-(3-hydroxycyclopentyl)pyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(C2CCC(O)C2)c1
InChIInChI=1S/C9H12N2O3/c12-8-2-1-7(3-8)11-5-6(4-10-11)9(13)14/h4-5,7-8,12H,1-3H2,(H,13,14)
InChIKeyPHLKGCLGJBDBHV-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.67
Rot. Bonds2

About 1-(3-hydroxycyclopentyl)pyrazole-4-carboxylic acid

1-(3-hydroxycyclopentyl)pyrazole-4-carboxylic acid (PubChem CID 84733356) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 1-(3-hydroxycyclopentyl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(3-hydroxycyclopentyl)pyrazole-4-carboxylic acid
PubChem CID84733356
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name1-(3-hydroxycyclopentyl)pyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(C2CCC(O)C2)c1
InChIInChI=1S/C9H12N2O3/c12-8-2-1-7(3-8)11-5-6(4-10-11)9(13)14/h4-5,7-8,12H,1-3H2,(H,13,14)
InChIKeyPHLKGCLGJBDBHV-UHFFFAOYSA-N
XLogP0.67
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(aminomethyl)cyclopentyl]pyrazole-4-carboxylic acid
CID 84734311
1-(1,1-dioxothiolan-3-yl)pyrazole-4-carboxylic acid
CID 24689706
3-(4-iodopyrazol-1-yl)cyclopentan-1-ol
CID 155120651
1-[(1R,2R)-2-hydroxycyclohexyl]pyrazole-4-carboxylic acid
CID 94560602
3-(4-phenylpyrazol-1-yl)cyclopentan-1-ol
CID 79632343
1-(oxan-2-yl)pyrazole-4-carboxylic acid;hydrofluoride
CID 89454227
1-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazole-4-carboxylic acid
CID 155895758
1-cyclohexylpyrazole-4-carbonyl chloride
CID 83814222
1-cyclopropylpyrazole-4-carboxylic acid;methyl 2-(cyclopropanecarbonyl)-3-(dimethylamino)prop-2-enoate
CID 159890158
1-(1-benzhydrylazetidin-3-yl)pyrazole-4-carboxylic acid
CID 129052797
cis-(1S,3R)-3-(4-aminopyrazol-1-yl)cyclohexan-1-ol
CID 118466984
1-[(3R)-1-(2-methoxyacetyl)pyrrolidin-3-yl]pyrazole-4-carboxylic acid
CID 95804209

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxycyclopentyl)pyrazole-4-carboxylic acid?
The IUPAC name of 1-(3-hydroxycyclopentyl)pyrazole-4-carboxylic acid (CID 84733356) is 1-(3-hydroxycyclopentyl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-(3-hydroxycyclopentyl)pyrazole-4-carboxylic acid?
The canonical SMILES for 1-(3-hydroxycyclopentyl)pyrazole-4-carboxylic acid is O=C(O)c1cnn(C2CCC(O)C2)c1.
What is the InChIKey of 1-(3-hydroxycyclopentyl)pyrazole-4-carboxylic acid?
The InChIKey is PHLKGCLGJBDBHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c12-8-2-1-7(3-8)11-5-6(4-10-11)9(13)14/h4-5,7-8,12H,1-3H2,(H,13,14).
What are the key properties of 1-(3-hydroxycyclopentyl)pyrazole-4-carboxylic acid?
1-(3-hydroxycyclopentyl)pyrazole-4-carboxylic acid has a molecular weight of 196.21 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxycyclopentyl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 84733356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).