2-(3,5-dimethylpyrazol-1-yl)-N-[(2-piperidin-1-ylphenyl)methyl]benzamide

C24H28N4O — CID 171676342

IUPAC2-(3,5-dimethylpyrazol-1-yl)-N-[(2-piperidin-1-ylphenyl)methyl]benzamide
SMILESCc1cc(C)n(-c2ccccc2C(=O)NCc2ccccc2N2CCCCC2)n1
InChIInChI=1S/C24H28N4O/c1-18-16-19(2)28(26-18)23-13-7-5-11-21(23)24(29)25-17-20-10-4-6-12-22(20)27-14-8-3-9-15-27/h4-7,10-13,16H,3,8-9,14-15,17H2,1-2H3,(H,25,29)
InChIKeyZDPLDQGGRGWIAR-UHFFFAOYSA-N
MW388.52 g/mol
LogP4.41
Rot. Bonds5

About 2-(3,5-dimethylpyrazol-1-yl)-N-[(2-piperidin-1-ylphenyl)methyl]benzamide

2-(3,5-dimethylpyrazol-1-yl)-N-[(2-piperidin-1-ylphenyl)methyl]benzamide (PubChem CID 171676342) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-N-[(2-piperidin-1-ylphenyl)methyl]benzamide.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-N-[(2-piperidin-1-ylphenyl)methyl]benzamide
PubChem CID171676342
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-N-[(2-piperidin-1-ylphenyl)methyl]benzamide
SMILESCc1cc(C)n(-c2ccccc2C(=O)NCc2ccccc2N2CCCCC2)n1
InChIInChI=1S/C24H28N4O/c1-18-16-19(2)28(26-18)23-13-7-5-11-21(23)24(29)25-17-20-10-4-6-12-22(20)27-14-8-3-9-15-27/h4-7,10-13,16H,3,8-9,14-15,17H2,1-2H3,(H,25,29)
InChIKeyZDPLDQGGRGWIAR-UHFFFAOYSA-N
XLogP4.41
TPSA50.16 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 ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]propanamide;hydrochloride
CID 119340285
N-(1H-benzimidazol-2-ylmethyl)-2-(3,5-dimethylpyrazol-1-yl)benzamide
CID 21008755
2,6-dimethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]quinoline-3-carboxamide
CID 55984779
3-amino-N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]butanamide
CID 119812835
1-cyclobutyl-3-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1-methylurea
CID 75381169
3-amino-N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]cyclohexane-1-carboxamide
CID 119812811
N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-3,3,4,4-tetrafluoro-2-methylbutanamide
CID 167792453
3-amino-N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]cyclopentane-1-carboxamide
CID 119812807
(3S)-N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 97068500
(3R)-N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 97068501
4-methyl-3-morpholin-4-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 46977362
2-(cyclopropylmethylamino)-N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]acetamide;hydrochloride
CID 119812822

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-[(2-piperidin-1-ylphenyl)methyl]benzamide?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-[(2-piperidin-1-ylphenyl)methyl]benzamide (CID 171676342) is 2-(3,5-dimethylpyrazol-1-yl)-N-[(2-piperidin-1-ylphenyl)methyl]benzamide.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-N-[(2-piperidin-1-ylphenyl)methyl]benzamide?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-N-[(2-piperidin-1-ylphenyl)methyl]benzamide is Cc1cc(C)n(-c2ccccc2C(=O)NCc2ccccc2N2CCCCC2)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-N-[(2-piperidin-1-ylphenyl)methyl]benzamide?
The InChIKey is ZDPLDQGGRGWIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c1-18-16-19(2)28(26-18)23-13-7-5-11-21(23)24(29)25-17-20-10-4-6-12-22(20)27-14-8-3-9-15-27/h4-7,10-13,16H,3,8-9,14-15,17H2,1-2H3,(H,25,29).
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-N-[(2-piperidin-1-ylphenyl)methyl]benzamide?
2-(3,5-dimethylpyrazol-1-yl)-N-[(2-piperidin-1-ylphenyl)methyl]benzamide has a molecular weight of 388.52 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-N-[(2-piperidin-1-ylphenyl)methyl]benzamide is sourced from PubChem (CID 171676342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).