1-(1H-pyrazol-5-yl)cyclohexane-1-carboxylic acid

C10H14N2O2 — CID 82605756

IUPAC1-(1H-pyrazol-5-yl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(c2ccn[nH]2)CCCCC1
InChIInChI=1S/C10H14N2O2/c13-9(14)10(5-2-1-3-6-10)8-4-7-11-12-8/h4,7H,1-3,5-6H2,(H,11,12)(H,13,14)
InChIKeyCAKAZZHFNOIYOR-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.70
Rot. Bonds2

About 1-(1H-pyrazol-5-yl)cyclohexane-1-carboxylic acid

1-(1H-pyrazol-5-yl)cyclohexane-1-carboxylic acid (PubChem CID 82605756) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 1-(1H-pyrazol-5-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(1H-pyrazol-5-yl)cyclohexane-1-carboxylic acid
PubChem CID82605756
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name1-(1H-pyrazol-5-yl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(c2ccn[nH]2)CCCCC1
InChIInChI=1S/C10H14N2O2/c13-9(14)10(5-2-1-3-6-10)8-4-7-11-12-8/h4,7H,1-3,5-6H2,(H,11,12)(H,13,14)
InChIKeyCAKAZZHFNOIYOR-UHFFFAOYSA-N
XLogP1.70
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(1H-pyrazol-5-yl)cyclohexyl] hydrogen carbonate
CID 175979649
1-[[2-(1H-pyrazol-5-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 79139388
1-(2,6-dihydroxyphenyl)cyclohexane-1-carboxylic acid
CID 117344540
1-pyridin-4-ylcyclobutane-1-carboxylic acid
CID 55265399
1-(5-methyl-1H-pyrazol-3-yl)cyclohexane-1-carboxylic acid
CID 82611608
1-pyrazin-2-ylcyclohexane-1-carboxylic acid
CID 96767473
5-(1-methylcyclopropyl)-1H-pyrazole;hydrochloride
CID 86775699
1-(1H-pyrrolo[3,2-c]pyridin-3-yl)cyclohexane-1-carboxylic acid
CID 82664593
1-(4-methoxy-1H-indol-5-yl)cyclohexane-1-carboxylic acid
CID 117435907
1-(3,3-dimethyl-2-oxo-1H-indol-5-yl)cyclohexane-1-carboxylic acid
CID 117463774
1-(5-hydroxy-2H-indazol-3-yl)cyclohexane-1-carboxylic acid
CID 82623856
1-(2-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 23151680

Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrazol-5-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(1H-pyrazol-5-yl)cyclohexane-1-carboxylic acid (CID 82605756) is 1-(1H-pyrazol-5-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(1H-pyrazol-5-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(1H-pyrazol-5-yl)cyclohexane-1-carboxylic acid is O=C(O)C1(c2ccn[nH]2)CCCCC1.
What is the InChIKey of 1-(1H-pyrazol-5-yl)cyclohexane-1-carboxylic acid?
The InChIKey is CAKAZZHFNOIYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c13-9(14)10(5-2-1-3-6-10)8-4-7-11-12-8/h4,7H,1-3,5-6H2,(H,11,12)(H,13,14).
What are the key properties of 1-(1H-pyrazol-5-yl)cyclohexane-1-carboxylic acid?
1-(1H-pyrazol-5-yl)cyclohexane-1-carboxylic acid has a molecular weight of 194.23 g/mol, XLogP of 1.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrazol-5-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 82605756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).