3-(1-methylpyrazol-4-yl)-N-pyridin-4-ylbenzamide

C16H14N4O — CID 110486276

IUPAC3-(1-methylpyrazol-4-yl)-N-pyridin-4-ylbenzamide
SMILESCn1cc(-c2cccc(C(=O)Nc3ccncc3)c2)cn1
InChIInChI=1S/C16H14N4O/c1-20-11-14(10-18-20)12-3-2-4-13(9-12)16(21)19-15-5-7-17-8-6-15/h2-11H,1H3,(H,17,19,21)
InChIKeyJNPYQLRMQYLGSH-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.73
Rot. Bonds3

About 3-(1-methylpyrazol-4-yl)-N-pyridin-4-ylbenzamide

3-(1-methylpyrazol-4-yl)-N-pyridin-4-ylbenzamide (PubChem CID 110486276) has the molecular formula C16H14N4O and a molecular weight of 278.31 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)-N-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)-N-pyridin-4-ylbenzamide
PubChem CID110486276
Molecular FormulaC16H14N4O
Molecular Weight278.31 g/mol
Exact Mass278.12
IUPAC Name3-(1-methylpyrazol-4-yl)-N-pyridin-4-ylbenzamide
SMILESCn1cc(-c2cccc(C(=O)Nc3ccncc3)c2)cn1
InChIInChI=1S/C16H14N4O/c1-20-11-14(10-18-20)12-3-2-4-13(9-12)16(21)19-15-5-7-17-8-6-15/h2-11H,1H3,(H,17,19,21)
InChIKeyJNPYQLRMQYLGSH-UHFFFAOYSA-N
XLogP2.73
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(1-methylpyrazol-4-yl)phenyl]pyridine-4-carboxamide
CID 110482049
3-(1-methylpyrazol-4-yl)-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 169417027
N-tert-butyl-3-(1-methylpyrazol-4-yl)benzamide
CID 110486270
N-[3-(1-methylpyrazol-4-yl)phenyl]-1H-pyrrole-2-carboxamide
CID 110480979
N-(2-methylpropyl)-3-(1-methylpyrazol-4-yl)benzamide
CID 110486267
3-(1-methylpyrazol-4-yl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzamide
CID 119058818
N-[3-(1-methylpyrazol-4-yl)phenyl]-3-oxobutanamide
CID 110477397
3-naphthalen-2-yl-N-pyridin-4-ylbenzamide
CID 118722840
methyl N-[3-(1-methylpyrazol-4-yl)phenyl]carbamate
CID 110477766
N-[4-[(3-acetamidobenzoyl)amino]phenyl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
CID 163494503
1-methyl-N-[3-(methylcarbamoyl)phenyl]pyrazole-4-carboxamide
CID 18146246
3-(1-methylpyrazol-4-yl)-N-[1-(1-methylpyrazol-4-yl)propyl]benzamide
CID 119059594

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-4-yl)-N-pyridin-4-ylbenzamide?
The IUPAC name of 3-(1-methylpyrazol-4-yl)-N-pyridin-4-ylbenzamide (CID 110486276) is 3-(1-methylpyrazol-4-yl)-N-pyridin-4-ylbenzamide.
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)-N-pyridin-4-ylbenzamide?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)-N-pyridin-4-ylbenzamide is Cn1cc(-c2cccc(C(=O)Nc3ccncc3)c2)cn1.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)-N-pyridin-4-ylbenzamide?
The InChIKey is JNPYQLRMQYLGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c1-20-11-14(10-18-20)12-3-2-4-13(9-12)16(21)19-15-5-7-17-8-6-15/h2-11H,1H3,(H,17,19,21).
What are the key properties of 3-(1-methylpyrazol-4-yl)-N-pyridin-4-ylbenzamide?
3-(1-methylpyrazol-4-yl)-N-pyridin-4-ylbenzamide has a molecular weight of 278.31 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-4-yl)-N-pyridin-4-ylbenzamide is sourced from PubChem (CID 110486276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).