1-cycloheptylpyrazol-4-ol

C10H16N2O — CID 116799473

IUPAC1-cycloheptylpyrazol-4-ol
SMILESOc1cnn(C2CCCCCC2)c1
InChIInChI=1S/C10H16N2O/c13-10-7-11-12(8-10)9-5-3-1-2-4-6-9/h7-9,13H,1-6H2
InChIKeyNJTRFHVKRDUVSE-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.48
Rot. Bonds1

About 1-cycloheptylpyrazol-4-ol

1-cycloheptylpyrazol-4-ol (PubChem CID 116799473) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-cycloheptylpyrazol-4-ol.

Molecular Properties

Compound Name1-cycloheptylpyrazol-4-ol
PubChem CID116799473
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name1-cycloheptylpyrazol-4-ol
SMILESOc1cnn(C2CCCCCC2)c1
InChIInChI=1S/C10H16N2O/c13-10-7-11-12(8-10)9-5-3-1-2-4-6-9/h7-9,13H,1-6H2
InChIKeyNJTRFHVKRDUVSE-UHFFFAOYSA-N
XLogP2.48
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylcyclohexyl)pyrazol-4-ol
CID 116799375
1-cyclohexylpyrazol-4-amine;hydrochloride
CID 83814238
1-cyclohexylpyrazole-4-carbonyl chloride
CID 83814222
1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-ol
CID 117124728
4-(1-cyclohexylpyrazol-4-yl)-2,6-dimethylphenol
CID 171921837
1-cyclopentylpyrazol-4-amine;hydrochloride
CID 74890000
1-[1-(cyclopropylmethyl)piperidin-4-yl]pyrazol-4-ol
CID 163407531
cyclopropyl-[4-(4-hydroxypyrazol-1-yl)piperidin-1-yl]methanone
CID 166595328
(1R)-1-(1-cyclopentylpyrazol-4-yl)ethanamine
CID 94575332
1-(1-cyclopentylpyrazol-4-yl)ethanamine
CID 62727296
2-(1-cyclohexylpyrazol-4-yl)oxyphenol
CID 117229305
1-cyclobutyl-4-methylpyrazole
CID 59225391

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptylpyrazol-4-ol?
The IUPAC name of 1-cycloheptylpyrazol-4-ol (CID 116799473) is 1-cycloheptylpyrazol-4-ol.
What is the SMILES notation for 1-cycloheptylpyrazol-4-ol?
The canonical SMILES for 1-cycloheptylpyrazol-4-ol is Oc1cnn(C2CCCCCC2)c1.
What is the InChIKey of 1-cycloheptylpyrazol-4-ol?
The InChIKey is NJTRFHVKRDUVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c13-10-7-11-12(8-10)9-5-3-1-2-4-6-9/h7-9,13H,1-6H2.
What are the key properties of 1-cycloheptylpyrazol-4-ol?
1-cycloheptylpyrazol-4-ol has a molecular weight of 180.25 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptylpyrazol-4-ol is sourced from PubChem (CID 116799473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).