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

C18H18N4O — CID 26251280

IUPAC4-(3,5-dimethylpyrazol-1-yl)-N-(pyridin-3-ylmethyl)benzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)NCc3cccnc3)cc2)n1
InChIInChI=1S/C18H18N4O/c1-13-10-14(2)22(21-13)17-7-5-16(6-8-17)18(23)20-12-15-4-3-9-19-11-15/h3-11H,12H2,1-2H3,(H,20,23)
InChIKeyNFHAPDLCDAJFCX-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.81
Rot. Bonds4

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

4-(3,5-dimethylpyrazol-1-yl)-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 26251280) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-N-(pyridin-3-ylmethyl)benzamide
PubChem CID26251280
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-N-(pyridin-3-ylmethyl)benzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)NCc3cccnc3)cc2)n1
InChIInChI=1S/C18H18N4O/c1-13-10-14(2)22(21-13)17-7-5-16(6-8-17)18(23)20-12-15-4-3-9-19-11-15/h3-11H,12H2,1-2H3,(H,20,23)
InChIKeyNFHAPDLCDAJFCX-UHFFFAOYSA-N
XLogP2.81
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 ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,5-dimethylpyrazol-1-yl)-N-[(4-methylphenyl)methyl]benzamide
CID 9112873
4-(3,5-dimethylpyrazol-1-yl)-N-[[3-(2-methoxyethoxy)phenyl]methyl]benzamide
CID 55801026
4-(3,5-dimethylpyrazol-1-yl)-N-[(2-ethoxy-4-pyridinyl)methyl]benzamide
CID 55716054
4-(3,5-dimethylpyrazol-1-yl)-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 122135738
N-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 136561565
4-(3,5-dimethylpyrazol-1-yl)-N-(2-methylpropyl)benzamide
CID 26365102
4-(3,5-dimethylpyrazol-1-yl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)benzamide
CID 70706606
4-N-(4-acetamidophenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 109047706
4-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 41412823
4-(3,5-dimethylpyrazol-1-yl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 56552141
4-(5-methylpyrazol-1-yl)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]benzamide
CID 55708042
4-(aminomethyl)-N-(pyridin-3-ylmethyl)benzamide
CID 28545926

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-(pyridin-3-ylmethyl)benzamide (CID 26251280) is 4-(3,5-dimethylpyrazol-1-yl)-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-N-(pyridin-3-ylmethyl)benzamide is Cc1cc(C)n(-c2ccc(C(=O)NCc3cccnc3)cc2)n1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is NFHAPDLCDAJFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-13-10-14(2)22(21-13)17-7-5-16(6-8-17)18(23)20-12-15-4-3-9-19-11-15/h3-11H,12H2,1-2H3,(H,20,23).
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-N-(pyridin-3-ylmethyl)benzamide?
4-(3,5-dimethylpyrazol-1-yl)-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 306.37 g/mol, XLogP of 2.81, 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)-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 26251280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).