4-(pyrazol-1-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide

C17H16N4O — CID 18136251

IUPAC4-(pyrazol-1-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide
SMILESO=C(NCc1ccccn1)c1ccc(Cn2cccn2)cc1
InChIInChI=1S/C17H16N4O/c22-17(19-12-16-4-1-2-9-18-16)15-7-5-14(6-8-15)13-21-11-3-10-20-21/h1-11H,12-13H2,(H,19,22)
InChIKeyWTFKORLOVGTOEP-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.26
Rot. Bonds5

About 4-(pyrazol-1-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide

4-(pyrazol-1-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 18136251) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is 4-(pyrazol-1-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-(pyrazol-1-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide
PubChem CID18136251
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name4-(pyrazol-1-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide
SMILESO=C(NCc1ccccn1)c1ccc(Cn2cccn2)cc1
InChIInChI=1S/C17H16N4O/c22-17(19-12-16-4-1-2-9-18-16)15-7-5-14(6-8-15)13-21-11-3-10-20-21/h1-11H,12-13H2,(H,19,22)
InChIKeyWTFKORLOVGTOEP-UHFFFAOYSA-N
XLogP2.26
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-benzylpiperazin-1-yl)methyl]-N-(pyridin-2-ylmethyl)benzamide
CID 46055500
4-(pyrazol-1-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide
CID 18136267
4-(imidazol-1-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 43921854
4-pyrazol-1-yl-N-(pyridin-2-ylmethyl)benzamide
CID 40673388
4-ethoxy-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 25403941
4-(methylaminomethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 90338069
pyridin-2-ylmethyl 4-(pyrazol-1-ylmethyl)benzoate
CID 46562089
4-(acetamidomethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 18107584
N-(2-methylpropyl)-4-(pyrazol-1-ylmethyl)benzamide
CID 18136496
N-[(2-methoxy-4-pyridinyl)methyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 47019691
6-(diethylamino)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide
CID 48656563
4-(2-methylpropyl)-N-(pyridin-2-ylmethyl)benzamide;molecular hydrogen
CID 142259068

Frequently Asked Questions

What is the IUPAC name of 4-(pyrazol-1-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 4-(pyrazol-1-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide (CID 18136251) is 4-(pyrazol-1-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 4-(pyrazol-1-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 4-(pyrazol-1-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide is O=C(NCc1ccccn1)c1ccc(Cn2cccn2)cc1.
What is the InChIKey of 4-(pyrazol-1-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is WTFKORLOVGTOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c22-17(19-12-16-4-1-2-9-18-16)15-7-5-14(6-8-15)13-21-11-3-10-20-21/h1-11H,12-13H2,(H,19,22).
What are the key properties of 4-(pyrazol-1-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide?
4-(pyrazol-1-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 292.34 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyrazol-1-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 18136251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).