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

C18H18N4O — CID 49016835

IUPAC4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-pyridin-4-ylbenzamide
SMILESCc1cc(C)n(Cc2ccc(C(=O)Nc3ccncc3)cc2)n1
InChIInChI=1S/C18H18N4O/c1-13-11-14(2)22(21-13)12-15-3-5-16(6-4-15)18(23)20-17-7-9-19-10-8-17/h3-11H,12H2,1-2H3,(H,19,20,23)
InChIKeyFCNUYCVANDIHBE-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.20
Rot. Bonds4

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

4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-pyridin-4-ylbenzamide (PubChem CID 49016835) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-pyridin-4-ylbenzamide
PubChem CID49016835
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-pyridin-4-ylbenzamide
SMILESCc1cc(C)n(Cc2ccc(C(=O)Nc3ccncc3)cc2)n1
InChIInChI=1S/C18H18N4O/c1-13-11-14(2)22(21-13)12-15-3-5-16(6-4-15)18(23)20-17-7-9-19-10-8-17/h3-11H,12H2,1-2H3,(H,19,20,23)
InChIKeyFCNUYCVANDIHBE-UHFFFAOYSA-N
XLogP3.20
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromophenyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 94872709
N-(4-carbamoylphenyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 48980777
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-methoxyphenyl)benzamide
CID 48980527
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-ethylsulfonylphenyl)benzamide
CID 48984995
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(propanoylamino)phenyl]benzamide
CID 48985971
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(2,4,6-trimethylphenyl)benzamide
CID 48980515
N-(2-aminophenyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 58930508
N-(3-anilino-3-oxopropyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 131903962
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 100586215
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-prop-2-ynylbenzamide
CID 49015971
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)benzamide
CID 100548495
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(2-methoxyphenyl)benzamide
CID 48980458

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-pyridin-4-ylbenzamide?
The IUPAC name of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-pyridin-4-ylbenzamide (CID 49016835) is 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-pyridin-4-ylbenzamide.
What is the SMILES notation for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-pyridin-4-ylbenzamide?
The canonical SMILES for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-pyridin-4-ylbenzamide is Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccncc3)cc2)n1.
What is the InChIKey of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-pyridin-4-ylbenzamide?
The InChIKey is FCNUYCVANDIHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-13-11-14(2)22(21-13)12-15-3-5-16(6-4-15)18(23)20-17-7-9-19-10-8-17/h3-11H,12H2,1-2H3,(H,19,20,23).
What are the key properties of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-pyridin-4-ylbenzamide?
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-pyridin-4-ylbenzamide has a molecular weight of 306.37 g/mol, XLogP of 3.20, 4 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)methyl]-N-pyridin-4-ylbenzamide is sourced from PubChem (CID 49016835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).