3-methyl-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]benzamide

C17H16N4O — CID 51101562

IUPAC3-methyl-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]benzamide
SMILESCc1cccc(C(=O)Nc2ccn(Cc3ccccn3)n2)c1
InChIInChI=1S/C17H16N4O/c1-13-5-4-6-14(11-13)17(22)19-16-8-10-21(20-16)12-15-7-2-3-9-18-15/h2-11H,12H2,1H3,(H,19,20,22)
InChIKeyXEYGDDBOMVVEHV-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.89
Rot. Bonds4

About 3-methyl-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]benzamide

3-methyl-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]benzamide (PubChem CID 51101562) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is 3-methyl-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]benzamide
PubChem CID51101562
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name3-methyl-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]benzamide
SMILESCc1cccc(C(=O)Nc2ccn(Cc3ccccn3)n2)c1
InChIInChI=1S/C17H16N4O/c1-13-5-4-6-14(11-13)17(22)19-16-8-10-21(20-16)12-15-7-2-3-9-18-15/h2-11H,12H2,1H3,(H,19,20,22)
InChIKeyXEYGDDBOMVVEHV-UHFFFAOYSA-N
XLogP2.89
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzylpyrazol-3-yl)-3-methylbenzamide
CID 19286119
N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 52817236
N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]-4-pyrrol-1-ylbenzamide
CID 51101543
4-methoxy-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]thiophene-2-carboxamide
CID 161037055
3-fluoro-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19284554
4-bromo-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19400841
(E)-3-(2,6-difluorophenyl)-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]prop-2-enamide
CID 51101513
N-[1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]benzamide
CID 66770627
6-chloro-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]quinoline-8-carboxamide
CID 47089636
N-(1-benzylpyrazol-3-yl)-3-[(2,5-dimethylphenoxy)methyl]benzamide
CID 19286281
3-[(2,5-dimethylphenoxy)methyl]-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19400976
2,2-dichloro-1-methyl-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]cyclopropane-1-carboxamide
CID 71881007

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]benzamide?
The IUPAC name of 3-methyl-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]benzamide (CID 51101562) is 3-methyl-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]benzamide.
What is the SMILES notation for 3-methyl-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]benzamide?
The canonical SMILES for 3-methyl-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]benzamide is Cc1cccc(C(=O)Nc2ccn(Cc3ccccn3)n2)c1.
What is the InChIKey of 3-methyl-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]benzamide?
The InChIKey is XEYGDDBOMVVEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c1-13-5-4-6-14(11-13)17(22)19-16-8-10-21(20-16)12-15-7-2-3-9-18-15/h2-11H,12H2,1H3,(H,19,20,22).
What are the key properties of 3-methyl-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]benzamide?
3-methyl-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]benzamide has a molecular weight of 292.34 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]benzamide is sourced from PubChem (CID 51101562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).