N-(1,3-dimethylpyrazol-4-yl)-4-(propylamino)benzamide

C15H20N4O — CID 102807314

IUPACN-(1,3-dimethylpyrazol-4-yl)-4-(propylamino)benzamide
SMILESCCCNc1ccc(C(=O)Nc2cn(C)nc2C)cc1
InChIInChI=1S/C15H20N4O/c1-4-9-16-13-7-5-12(6-8-13)15(20)17-14-10-19(3)18-11(14)2/h5-8,10,16H,4,9H2,1-3H3,(H,17,20)
InChIKeyRSQJIPJYFOIBNY-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.80
Rot. Bonds5

About N-(1,3-dimethylpyrazol-4-yl)-4-(propylamino)benzamide

N-(1,3-dimethylpyrazol-4-yl)-4-(propylamino)benzamide (PubChem CID 102807314) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N-(1,3-dimethylpyrazol-4-yl)-4-(propylamino)benzamide.

Molecular Properties

Compound NameN-(1,3-dimethylpyrazol-4-yl)-4-(propylamino)benzamide
PubChem CID102807314
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN-(1,3-dimethylpyrazol-4-yl)-4-(propylamino)benzamide
SMILESCCCNc1ccc(C(=O)Nc2cn(C)nc2C)cc1
InChIInChI=1S/C15H20N4O/c1-4-9-16-13-7-5-12(6-8-13)15(20)17-14-10-19(3)18-11(14)2/h5-8,10,16H,4,9H2,1-3H3,(H,17,20)
InChIKeyRSQJIPJYFOIBNY-UHFFFAOYSA-N
XLogP2.80
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-dimethylpyrazol-4-yl)-4-ethoxybenzamide
CID 19346026
4-(aminomethyl)-N-(1,3-dimethylpyrazol-4-yl)benzamide
CID 103796977
methyl 4-[(1,3-dimethylpyrazol-4-yl)carbamoyl]benzoate
CID 19346192
N-(1,3-dimethylpyrazol-4-yl)-6-(propylamino)pyridazine-3-carboxamide
CID 102807260
N-(1,3-dimethylpyrazol-4-yl)-3-hydroxy-4-methylbenzamide
CID 113358549
N-(1,3-dimethylpyrazol-4-yl)-2-(propylamino)acetamide
CID 102805551
N-(1,3-dimethylpyrazol-4-yl)-3,4-diethoxybenzamide
CID 19346004
N-(1,3-dimethylpyrazol-4-yl)-3-methylbenzamide
CID 19346010
3-chloro-N-(1,3-dimethylpyrazol-4-yl)-4-iodobenzamide
CID 113251749
N-(3-bromo-2-methylphenyl)-4-(propylamino)benzamide
CID 107630943
N-(1,3-dimethylpyrazol-4-yl)-3-fluoro-4-methoxybenzamide
CID 134714010
4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(1,3-dimethylpyrazol-4-yl)benzamide
CID 19346186

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethylpyrazol-4-yl)-4-(propylamino)benzamide?
The IUPAC name of N-(1,3-dimethylpyrazol-4-yl)-4-(propylamino)benzamide (CID 102807314) is N-(1,3-dimethylpyrazol-4-yl)-4-(propylamino)benzamide.
What is the SMILES notation for N-(1,3-dimethylpyrazol-4-yl)-4-(propylamino)benzamide?
The canonical SMILES for N-(1,3-dimethylpyrazol-4-yl)-4-(propylamino)benzamide is CCCNc1ccc(C(=O)Nc2cn(C)nc2C)cc1.
What is the InChIKey of N-(1,3-dimethylpyrazol-4-yl)-4-(propylamino)benzamide?
The InChIKey is RSQJIPJYFOIBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-4-9-16-13-7-5-12(6-8-13)15(20)17-14-10-19(3)18-11(14)2/h5-8,10,16H,4,9H2,1-3H3,(H,17,20).
What are the key properties of N-(1,3-dimethylpyrazol-4-yl)-4-(propylamino)benzamide?
N-(1,3-dimethylpyrazol-4-yl)-4-(propylamino)benzamide has a molecular weight of 272.35 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethylpyrazol-4-yl)-4-(propylamino)benzamide is sourced from PubChem (CID 102807314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).