4-(3,5-dimethylpyrazol-1-yl)-N-pyridin-3-ylbenzamide

C17H16N4O — CID 826943

IUPAC4-(3,5-dimethylpyrazol-1-yl)-N-pyridin-3-ylbenzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)Nc3cccnc3)cc2)n1
InChIInChI=1S/C17H16N4O/c1-12-10-13(2)21(20-12)16-7-5-14(6-8-16)17(22)19-15-4-3-9-18-11-15/h3-11H,1-2H3,(H,19,22)
InChIKeyVTMILQUFUKOKHX-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.14
Rot. Bonds3

About 4-(3,5-dimethylpyrazol-1-yl)-N-pyridin-3-ylbenzamide

4-(3,5-dimethylpyrazol-1-yl)-N-pyridin-3-ylbenzamide (PubChem CID 826943) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-N-pyridin-3-ylbenzamide
PubChem CID826943
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-N-pyridin-3-ylbenzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)Nc3cccnc3)cc2)n1
InChIInChI=1S/C17H16N4O/c1-12-10-13(2)21(20-12)16-7-5-14(6-8-16)17(22)19-15-4-3-9-18-11-15/h3-11H,1-2H3,(H,19,22)
InChIKeyVTMILQUFUKOKHX-UHFFFAOYSA-N
XLogP3.14
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-pyridin-3-ylbenzamide?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-pyridin-3-ylbenzamide (CID 826943) is 4-(3,5-dimethylpyrazol-1-yl)-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-N-pyridin-3-ylbenzamide?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-N-pyridin-3-ylbenzamide is Cc1cc(C)n(-c2ccc(C(=O)Nc3cccnc3)cc2)n1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-N-pyridin-3-ylbenzamide?
The InChIKey is VTMILQUFUKOKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c1-12-10-13(2)21(20-12)16-7-5-14(6-8-16)17(22)19-15-4-3-9-18-11-15/h3-11H,1-2H3,(H,19,22).
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-N-pyridin-3-ylbenzamide?
4-(3,5-dimethylpyrazol-1-yl)-N-pyridin-3-ylbenzamide has a molecular weight of 292.34 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpyrazol-1-yl)-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 826943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).