1-[4-(2-cyclohexylethyl)phenyl]pyrazole

C17H22N2 — CID 91400581

IUPAC1-[4-(2-cyclohexylethyl)phenyl]pyrazole
SMILESc1cnn(-c2ccc(CCC3CCCCC3)cc2)c1
InChIInChI=1S/C17H22N2/c1-2-5-15(6-3-1)7-8-16-9-11-17(12-10-16)19-14-4-13-18-19/h4,9-15H,1-3,5-8H2
InChIKeyQLYAQYPDJHOWGC-UHFFFAOYSA-N
MW254.38 g/mol
LogP4.39
Rot. Bonds4

About 1-[4-(2-cyclohexylethyl)phenyl]pyrazole

1-[4-(2-cyclohexylethyl)phenyl]pyrazole (PubChem CID 91400581) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 1-[4-(2-cyclohexylethyl)phenyl]pyrazole.

Molecular Properties

Compound Name1-[4-(2-cyclohexylethyl)phenyl]pyrazole
PubChem CID91400581
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name1-[4-(2-cyclohexylethyl)phenyl]pyrazole
SMILESc1cnn(-c2ccc(CCC3CCCCC3)cc2)c1
InChIInChI=1S/C17H22N2/c1-2-5-15(6-3-1)7-8-16-9-11-17(12-10-16)19-14-4-13-18-19/h4,9-15H,1-3,5-8H2
InChIKeyQLYAQYPDJHOWGC-UHFFFAOYSA-N
XLogP4.39
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(2-cyclohexylethyl)phenyl]pyrazole;2-methylpropane-2-sulfinate
CID 91400580
1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]pyrazole
CID 59549594
2-phenylethylcyclooctane
CID 54073487
2-[(4-pyrazol-1-ylphenyl)methylamino]cyclohexan-1-ol
CID 60612400
1-[2-[4-(2-cyclohexylethyl)cyclohexyl]ethyl]-4-(2-phenylethyl)benzene
CID 20724010
1-(2-hydroxycyclohexyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 110933218
(1S)-1-cyclopentyl-N-[(4-pyrazol-1-ylphenyl)methyl]ethanamine
CID 81386103
2-[4-(2-cyclohexylethyl)phenyl]ethanamine
CID 15036641
1-bromo-4-(2-cyclohexylethyl)benzene
CID 70911699
1-chloro-4-(2-cyclohexylethyl)benzene
CID 142983439
1-[4-[2-[3-[2-[3,5-dimethyl-4-(2-phenylimidazol-1-yl)phenyl]ethyl]phenyl]ethyl]-2,6-dimethylphenyl]-2-[4-[2-[3-[2-(4-pyrazol-1-ylphenyl)ethyl]cyclohexyl]ethyl]phenyl]imidazole
CID 159581682
1-cyclohexyl-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine
CID 111063308

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-cyclohexylethyl)phenyl]pyrazole?
The IUPAC name of 1-[4-(2-cyclohexylethyl)phenyl]pyrazole (CID 91400581) is 1-[4-(2-cyclohexylethyl)phenyl]pyrazole.
What is the SMILES notation for 1-[4-(2-cyclohexylethyl)phenyl]pyrazole?
The canonical SMILES for 1-[4-(2-cyclohexylethyl)phenyl]pyrazole is c1cnn(-c2ccc(CCC3CCCCC3)cc2)c1.
What is the InChIKey of 1-[4-(2-cyclohexylethyl)phenyl]pyrazole?
The InChIKey is QLYAQYPDJHOWGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-2-5-15(6-3-1)7-8-16-9-11-17(12-10-16)19-14-4-13-18-19/h4,9-15H,1-3,5-8H2.
What are the key properties of 1-[4-(2-cyclohexylethyl)phenyl]pyrazole?
1-[4-(2-cyclohexylethyl)phenyl]pyrazole has a molecular weight of 254.38 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-cyclohexylethyl)phenyl]pyrazole is sourced from PubChem (CID 91400581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).