1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]pyrazole

C18H24N2 — CID 59549594

IUPAC1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]pyrazole
SMILESCC1CCC(CCc2ccc(-n3cccn3)cc2)CC1
InChIInChI=1S/C18H24N2/c1-15-3-5-16(6-4-15)7-8-17-9-11-18(12-10-17)20-14-2-13-19-20/h2,9-16H,3-8H2,1H3
InChIKeyUEPQYHDUCYUZOR-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.63
Rot. Bonds4

About 1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]pyrazole

1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]pyrazole (PubChem CID 59549594) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]pyrazole.

Molecular Properties

Compound Name1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]pyrazole
PubChem CID59549594
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]pyrazole
SMILESCC1CCC(CCc2ccc(-n3cccn3)cc2)CC1
InChIInChI=1S/C18H24N2/c1-15-3-5-16(6-4-15)7-8-17-9-11-18(12-10-17)20-14-2-13-19-20/h2,9-16H,3-8H2,1H3
InChIKeyUEPQYHDUCYUZOR-UHFFFAOYSA-N
XLogP4.63
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(2-cyclohexylethyl)phenyl]pyrazole
CID 91400581
1-[4-(2-cyclohexylethyl)phenyl]pyrazole;2-methylpropane-2-sulfinate
CID 91400580
2-[4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]piperazin-1-yl]pyrimidine
CID 59230378
3-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]cyclohexan-1-amine
CID 43775489
2,4-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]cyclohexan-1-amine
CID 63994271
1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]-2,3-dihydroindole
CID 59549688
3-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-4-amine
CID 79868378
3-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-4-ol
CID 114681410
1-methyl-4-[4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]phenyl]benzene
CID 21136661
1-methyl-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene;molecular hydrogen
CID 159699937
4-propyl-N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide
CID 22205150
4-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-amine
CID 103576557

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]pyrazole?
The IUPAC name of 1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]pyrazole (CID 59549594) is 1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]pyrazole.
What is the SMILES notation for 1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]pyrazole?
The canonical SMILES for 1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]pyrazole is CC1CCC(CCc2ccc(-n3cccn3)cc2)CC1.
What is the InChIKey of 1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]pyrazole?
The InChIKey is UEPQYHDUCYUZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-15-3-5-16(6-4-15)7-8-17-9-11-18(12-10-17)20-14-2-13-19-20/h2,9-16H,3-8H2,1H3.
What are the key properties of 1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]pyrazole?
1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]pyrazole has a molecular weight of 268.40 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]pyrazole is sourced from PubChem (CID 59549594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).