1-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]piperidine-3-carboxamide

C24H28N4O — CID 112796807

IUPAC1-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]piperidine-3-carboxamide
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2CN2CCCC(C(N)=O)C2)cc1C
InChIInChI=1S/C24H28N4O/c1-17-10-11-19(13-18(17)2)23-21(15-27-12-6-7-20(14-27)24(25)29)16-28(26-23)22-8-4-3-5-9-22/h3-5,8-11,13,16,20H,6-7,12,14-15H2,1-2H3,(H2,25,29)
InChIKeyONNCGPHPHPRQQZ-UHFFFAOYSA-N
MW388.52 g/mol
LogP3.85
Rot. Bonds5

About 1-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]piperidine-3-carboxamide

1-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]piperidine-3-carboxamide (PubChem CID 112796807) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is 1-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]piperidine-3-carboxamide
PubChem CID112796807
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC Name1-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]piperidine-3-carboxamide
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2CN2CCCC(C(N)=O)C2)cc1C
InChIInChI=1S/C24H28N4O/c1-17-10-11-19(13-18(17)2)23-21(15-27-12-6-7-20(14-27)24(25)29)16-28(26-23)22-8-4-3-5-9-22/h3-5,8-11,13,16,20H,6-7,12,14-15H2,1-2H3,(H2,25,29)
InChIKeyONNCGPHPHPRQQZ-UHFFFAOYSA-N
XLogP3.85
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-[(1,3-diphenylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide
CID 94163079
(3S)-1-[(1,3-diphenylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide
CID 94163078
1-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]piperidine-3-carboxamide
CID 45196019
1-[1-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]piperidin-4-yl]imidazolidin-2-one
CID 112840896
1-[(3,4-dimethylphenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 66770442
1-[(1,3-diphenylpyrazol-4-yl)methyl]-3-pyrrolidin-1-ylpiperidine
CID 45251638
N-[[(3S)-1-[[3-(1,3-benzodioxol-5-yl)-1-phenylpyrazol-4-yl]methyl]piperidin-3-yl]methyl]acetamide
CID 25281255
2-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methylsulfanyl]acetic acid
CID 34881763
2-[(3-carbamoylpiperidin-1-yl)methyl]benzoic acid
CID 43473268
3-[(3S)-1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidin-3-yl]propanamide
CID 95722904
1-[[1-benzyl-3-(3-methylphenyl)pyrazol-4-yl]methyl]piperidine-3-carboxylic acid
CID 122040766
(3S)-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide
CID 6962119

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]piperidine-3-carboxamide?
The IUPAC name of 1-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]piperidine-3-carboxamide (CID 112796807) is 1-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]piperidine-3-carboxamide is Cc1ccc(-c2nn(-c3ccccc3)cc2CN2CCCC(C(N)=O)C2)cc1C.
What is the InChIKey of 1-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]piperidine-3-carboxamide?
The InChIKey is ONNCGPHPHPRQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c1-17-10-11-19(13-18(17)2)23-21(15-27-12-6-7-20(14-27)24(25)29)16-28(26-23)22-8-4-3-5-9-22/h3-5,8-11,13,16,20H,6-7,12,14-15H2,1-2H3,(H2,25,29).
What are the key properties of 1-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]piperidine-3-carboxamide?
1-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]piperidine-3-carboxamide has a molecular weight of 388.52 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 112796807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).