3-[4-(4-methylphenyl)-1-phenylpyrazol-5-yl]piperidine

C21H23N3 — CID 115053824

IUPAC3-[4-(4-methylphenyl)-1-phenylpyrazol-5-yl]piperidine
SMILESCc1ccc(-c2cnn(-c3ccccc3)c2C2CCCNC2)cc1
InChIInChI=1S/C21H23N3/c1-16-9-11-17(12-10-16)20-15-23-24(19-7-3-2-4-8-19)21(20)18-6-5-13-22-14-18/h2-4,7-12,15,18,22H,5-6,13-14H2,1H3
InChIKeyCBFQDHFMDKBPTO-UHFFFAOYSA-N
MW317.44 g/mol
LogP4.31
Rot. Bonds3

About 3-[4-(4-methylphenyl)-1-phenylpyrazol-5-yl]piperidine

3-[4-(4-methylphenyl)-1-phenylpyrazol-5-yl]piperidine (PubChem CID 115053824) has the molecular formula C21H23N3 and a molecular weight of 317.44 g/mol. Its IUPAC name is 3-[4-(4-methylphenyl)-1-phenylpyrazol-5-yl]piperidine.

Molecular Properties

Compound Name3-[4-(4-methylphenyl)-1-phenylpyrazol-5-yl]piperidine
PubChem CID115053824
Molecular FormulaC21H23N3
Molecular Weight317.44 g/mol
Exact Mass317.19
IUPAC Name3-[4-(4-methylphenyl)-1-phenylpyrazol-5-yl]piperidine
SMILESCc1ccc(-c2cnn(-c3ccccc3)c2C2CCCNC2)cc1
InChIInChI=1S/C21H23N3/c1-16-9-11-17(12-10-16)20-15-23-24(19-7-3-2-4-8-19)21(20)18-6-5-13-22-14-18/h2-4,7-12,15,18,22H,5-6,13-14H2,1H3
InChIKeyCBFQDHFMDKBPTO-UHFFFAOYSA-N
XLogP4.31
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 54.31
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
3-(1-phenyl-5-pyrrolidin-3-ylpyrazol-4-yl)phenol
CID 115053842
4-(4-chlorophenyl)-1-methyl-5-pyrrolidin-3-ylpyrazole
CID 115053582
2-(4-methylphenyl)-5-[(3R)-piperidin-3-yl]pyrazine
CID 95846535
5-methyl-1-phenyl-N-piperidin-3-ylpyrazole-4-carboxamide
CID 119427580
3-[3-(4-methylpyrazol-1-yl)phenyl]piperidine
CID 117355761
2-(4-cyclohexyl-1-phenylpyrazol-5-yl)piperidine
CID 115053820
5-methyl-1-phenyl-4-(5-phenyl-3-pyrrolidin-3-ylimidazol-4-yl)pyrazole
CID 50948117
5-methyl-1-phenyl-4-[5-phenyl-3-[(3S)-pyrrolidin-3-yl]imidazol-4-yl]pyrazole
CID 95119449
5-cyclopropyl-1-phenyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119463223
N-(4-methylphenyl)-6-phenyl-2-piperidin-3-ylpyrimidin-4-amine
CID 156544080
[1-(4-methylphenyl)-5-piperidin-4-ylpyrazol-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 20953845

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methylphenyl)-1-phenylpyrazol-5-yl]piperidine?
The IUPAC name of 3-[4-(4-methylphenyl)-1-phenylpyrazol-5-yl]piperidine (CID 115053824) is 3-[4-(4-methylphenyl)-1-phenylpyrazol-5-yl]piperidine.
What is the SMILES notation for 3-[4-(4-methylphenyl)-1-phenylpyrazol-5-yl]piperidine?
The canonical SMILES for 3-[4-(4-methylphenyl)-1-phenylpyrazol-5-yl]piperidine is Cc1ccc(-c2cnn(-c3ccccc3)c2C2CCCNC2)cc1.
What is the InChIKey of 3-[4-(4-methylphenyl)-1-phenylpyrazol-5-yl]piperidine?
The InChIKey is CBFQDHFMDKBPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3/c1-16-9-11-17(12-10-16)20-15-23-24(19-7-3-2-4-8-19)21(20)18-6-5-13-22-14-18/h2-4,7-12,15,18,22H,5-6,13-14H2,1H3.
What are the key properties of 3-[4-(4-methylphenyl)-1-phenylpyrazol-5-yl]piperidine?
3-[4-(4-methylphenyl)-1-phenylpyrazol-5-yl]piperidine has a molecular weight of 317.44 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-methylphenyl)-1-phenylpyrazol-5-yl]piperidine is sourced from PubChem (CID 115053824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).