4-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide

C19H19N3O — CID 17483548

IUPAC4-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
SMILESCc1ccc(C(=O)NCc2ccccc2Cn2cccn2)cc1
InChIInChI=1S/C19H19N3O/c1-15-7-9-16(10-8-15)19(23)20-13-17-5-2-3-6-18(17)14-22-12-4-11-21-22/h2-12H,13-14H2,1H3,(H,20,23)
InChIKeySFBGOFQZWVGGRN-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.17
Rot. Bonds5

About 4-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide

4-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide (PubChem CID 17483548) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is 4-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
PubChem CID17483548
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name4-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
SMILESCc1ccc(C(=O)NCc2ccccc2Cn2cccn2)cc1
InChIInChI=1S/C19H19N3O/c1-15-7-9-16(10-8-15)19(23)20-13-17-5-2-3-6-18(17)14-22-12-4-11-21-22/h2-12H,13-14H2,1H3,(H,20,23)
InChIKeySFBGOFQZWVGGRN-UHFFFAOYSA-N
XLogP3.17
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1,3-dithiolan-2-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 24560815
4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 24617459
1-[(2-chlorophenyl)methyl]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 34584858
4-(2-oxoimidazolidin-1-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 46524589
5-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 51277216
2-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]butanamide
CID 24684926
(2R)-2-amino-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide
CID 119275741
N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-1,3-benzothiazole-6-carboxamide
CID 17491209
1-ethyl-3-methyl-2-oxo-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]quinoxaline-6-carboxamide
CID 31954457
5-chloro-1,3-dimethyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 24612715
3-chloro-4-ethoxy-5-methoxy-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 41419081
N-butyl-4-[[[N'-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]carbamimidoyl]amino]methyl]benzamide
CID 111850816

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide?
The IUPAC name of 4-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide (CID 17483548) is 4-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 4-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide?
The canonical SMILES for 4-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide is Cc1ccc(C(=O)NCc2ccccc2Cn2cccn2)cc1.
What is the InChIKey of 4-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide?
The InChIKey is SFBGOFQZWVGGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c1-15-7-9-16(10-8-15)19(23)20-13-17-5-2-3-6-18(17)14-22-12-4-11-21-22/h2-12H,13-14H2,1H3,(H,20,23).
What are the key properties of 4-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide?
4-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide has a molecular weight of 305.38 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 17483548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).