2-(4-cyclohexyl-1-phenylpyrazol-5-yl)piperidine

C20H27N3 — CID 115053820

IUPAC2-(4-cyclohexyl-1-phenylpyrazol-5-yl)piperidine
SMILESc1ccc(-n2ncc(C3CCCCC3)c2C2CCCCN2)cc1
InChIInChI=1S/C20H27N3/c1-3-9-16(10-4-1)18-15-22-23(17-11-5-2-6-12-17)20(18)19-13-7-8-14-21-19/h2,5-6,11-12,15-16,19,21H,1,3-4,7-10,13-14H2
InChIKeyGFLBGKRRBIJNJL-UHFFFAOYSA-N
MW309.46 g/mol
LogP4.73
Rot. Bonds3

About 2-(4-cyclohexyl-1-phenylpyrazol-5-yl)piperidine

2-(4-cyclohexyl-1-phenylpyrazol-5-yl)piperidine (PubChem CID 115053820) has the molecular formula C20H27N3 and a molecular weight of 309.46 g/mol. Its IUPAC name is 2-(4-cyclohexyl-1-phenylpyrazol-5-yl)piperidine.

Molecular Properties

Compound Name2-(4-cyclohexyl-1-phenylpyrazol-5-yl)piperidine
PubChem CID115053820
Molecular FormulaC20H27N3
Molecular Weight309.46 g/mol
Exact Mass309.22
IUPAC Name2-(4-cyclohexyl-1-phenylpyrazol-5-yl)piperidine
SMILESc1ccc(-n2ncc(C3CCCCC3)c2C2CCCCN2)cc1
InChIInChI=1S/C20H27N3/c1-3-9-16(10-4-1)18-15-22-23(17-11-5-2-6-12-17)20(18)19-13-7-8-14-21-19/h2,5-6,11-12,15-16,19,21H,1,3-4,7-10,13-14H2
InChIKeyGFLBGKRRBIJNJL-UHFFFAOYSA-N
XLogP4.73
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.46
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methylphenyl)-1-phenyl-5-pyrrolidin-2-ylpyrazole
CID 115053795
2-(2-cyclopentylphenyl)piperidine
CID 115005914
2-(2-cyclohexylphenyl)pyrrolidine
CID 77131701
1-phenyl-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104942009
3-[4-(4-methylphenyl)-1-phenylpyrazol-5-yl]piperidine
CID 115053824
(2S)-2-phenylpiperidine
CID 10997356
2-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)azepane
CID 64562107
2-(1,5-dimethylpyrazol-4-yl)azepane
CID 81147325
4-phenyl-3-piperidin-2-ylpyridine
CID 115009262
4-benzyl-1-phenyl-5-(pyrrolidin-2-ylmethyl)pyrazole
CID 115053884
3-pyrrolidin-2-ylpyrazolo[1,5-a]pyridine
CID 83829002
1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine
CID 107384308

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexyl-1-phenylpyrazol-5-yl)piperidine?
The IUPAC name of 2-(4-cyclohexyl-1-phenylpyrazol-5-yl)piperidine (CID 115053820) is 2-(4-cyclohexyl-1-phenylpyrazol-5-yl)piperidine.
What is the SMILES notation for 2-(4-cyclohexyl-1-phenylpyrazol-5-yl)piperidine?
The canonical SMILES for 2-(4-cyclohexyl-1-phenylpyrazol-5-yl)piperidine is c1ccc(-n2ncc(C3CCCCC3)c2C2CCCCN2)cc1.
What is the InChIKey of 2-(4-cyclohexyl-1-phenylpyrazol-5-yl)piperidine?
The InChIKey is GFLBGKRRBIJNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3/c1-3-9-16(10-4-1)18-15-22-23(17-11-5-2-6-12-17)20(18)19-13-7-8-14-21-19/h2,5-6,11-12,15-16,19,21H,1,3-4,7-10,13-14H2.
What are the key properties of 2-(4-cyclohexyl-1-phenylpyrazol-5-yl)piperidine?
2-(4-cyclohexyl-1-phenylpyrazol-5-yl)piperidine has a molecular weight of 309.46 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexyl-1-phenylpyrazol-5-yl)piperidine is sourced from PubChem (CID 115053820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).