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

C16H14N4O — CID 40673388

IUPAC4-pyrazol-1-yl-N-(pyridin-2-ylmethyl)benzamide
SMILESO=C(NCc1ccccn1)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C16H14N4O/c21-16(18-12-14-4-1-2-9-17-14)13-5-7-15(8-6-13)20-11-3-10-19-20/h1-11H,12H2,(H,18,21)
InChIKeyTULPTBBZYARJSM-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.20
Rot. Bonds4

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

4-pyrazol-1-yl-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 40673388) has the molecular formula C16H14N4O and a molecular weight of 278.31 g/mol. Its IUPAC name is 4-pyrazol-1-yl-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-pyrazol-1-yl-N-(pyridin-2-ylmethyl)benzamide
PubChem CID40673388
Molecular FormulaC16H14N4O
Molecular Weight278.31 g/mol
Exact Mass278.12
IUPAC Name4-pyrazol-1-yl-N-(pyridin-2-ylmethyl)benzamide
SMILESO=C(NCc1ccccn1)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C16H14N4O/c21-16(18-12-14-4-1-2-9-17-14)13-5-7-15(8-6-13)20-11-3-10-19-20/h1-11H,12H2,(H,18,21)
InChIKeyTULPTBBZYARJSM-UHFFFAOYSA-N
XLogP2.20
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-pyrazol-1-yl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
CID 46470263
4-(pyrazol-1-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 18136251
N-[(1-phenylpyrazol-4-yl)methyl]-4-pyrazol-1-ylbenzamide
CID 17483211
methyl 4-(pyridin-2-ylmethylcarbamoyl)benzoate
CID 9414602
N-prop-2-ynyl-4-pyrazol-1-ylbenzamide
CID 30601389
4-(methylaminomethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 90338069
N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-4-pyrazol-1-ylbenzamide
CID 9069207
4-(acetamidomethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 18107584
(2S)-2-phenyl-3-[(4-pyrazol-1-ylbenzoyl)amino]propanoic acid
CID 97081236
4-(imidazol-1-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 43921854
N-(3-hydroxy-2-methylpropyl)-4-pyrazol-1-ylbenzamide
CID 65031869
N-(pyridin-2-ylmethyl)-4-pyridin-2-ylsulfanylbenzamide
CID 51101128

Frequently Asked Questions

What is the IUPAC name of 4-pyrazol-1-yl-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 4-pyrazol-1-yl-N-(pyridin-2-ylmethyl)benzamide (CID 40673388) is 4-pyrazol-1-yl-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 4-pyrazol-1-yl-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 4-pyrazol-1-yl-N-(pyridin-2-ylmethyl)benzamide is O=C(NCc1ccccn1)c1ccc(-n2cccn2)cc1.
What is the InChIKey of 4-pyrazol-1-yl-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is TULPTBBZYARJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c21-16(18-12-14-4-1-2-9-17-14)13-5-7-15(8-6-13)20-11-3-10-19-20/h1-11H,12H2,(H,18,21).
What are the key properties of 4-pyrazol-1-yl-N-(pyridin-2-ylmethyl)benzamide?
4-pyrazol-1-yl-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 278.31 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrazol-1-yl-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 40673388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).