1-cyclohexylpyrazole

C9H14N2 — CID 10725523

IUPAC1-cyclohexylpyrazole
SMILESc1cnn(C2CCCCC2)c1
InChIInChI=1S/C9H14N2/c1-2-5-9(6-3-1)11-8-4-7-10-11/h4,7-9H,1-3,5-6H2
InChIKeyFHSJRSWITDIAHR-UHFFFAOYSA-N
MW150.23 g/mol
LogP2.39
Rot. Bonds1

About 1-cyclohexylpyrazole

1-cyclohexylpyrazole (PubChem CID 10725523) has the molecular formula C9H14N2 and a molecular weight of 150.23 g/mol. Its IUPAC name is 1-cyclohexylpyrazole.

Molecular Properties

Compound Name1-cyclohexylpyrazole
PubChem CID10725523
Molecular FormulaC9H14N2
Molecular Weight150.23 g/mol
Exact Mass150.12
IUPAC Name1-cyclohexylpyrazole
SMILESc1cnn(C2CCCCC2)c1
InChIInChI=1S/C9H14N2/c1-2-5-9(6-3-1)11-8-4-7-10-11/h4,7-9H,1-3,5-6H2
InChIKeyFHSJRSWITDIAHR-UHFFFAOYSA-N
XLogP2.39
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.23
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1H-Pyrazole, 1-methyl-
CID 70255
1-Ethylpyrazole
CID 498446
4-(1H-Pyrazol-1-yl)piperidine
CID 21193045
1-cyclopentyl-1H-pyrazole
CID 10844435
1-tert-Butyl-1H-pyrazole
CID 13469815
1-ethenyl-1H-pyrazole
CID 6420997
1-Propyl-1H-pyrazole
CID 12711096
1-isopropyl-1H-pyrazole
CID 13469816
1-(prop-2-en-1-yl)-1H-pyrazole
CID 3489293
2-(1H-pyrazol-1-yl)acetonitrile
CID 7017843
1-(pyrrolidin-2-ylmethyl)-1H-pyrazole
CID 25220770
3-(1H-pyrazol-1-yl)piperidine
CID 47003266

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylpyrazole?
The IUPAC name of 1-cyclohexylpyrazole (CID 10725523) is 1-cyclohexylpyrazole.
What is the SMILES notation for 1-cyclohexylpyrazole?
The canonical SMILES for 1-cyclohexylpyrazole is c1cnn(C2CCCCC2)c1.
What is the InChIKey of 1-cyclohexylpyrazole?
The InChIKey is FHSJRSWITDIAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-2-5-9(6-3-1)11-8-4-7-10-11/h4,7-9H,1-3,5-6H2.
What are the key properties of 1-cyclohexylpyrazole?
1-cyclohexylpyrazole has a molecular weight of 150.23 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylpyrazole is sourced from PubChem (CID 10725523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).