N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(propylamino)benzamide

C15H20N4O — CID 62167844

IUPACN-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(propylamino)benzamide
SMILESCCCNc1ccccc1C(=O)Nc1c(C)n[nH]c1C
InChIInChI=1S/C15H20N4O/c1-4-9-16-13-8-6-5-7-12(13)15(20)17-14-10(2)18-19-11(14)3/h5-8,16H,4,9H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyLQDBUOHWJRHHII-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.10
Rot. Bonds5

About N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(propylamino)benzamide

N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(propylamino)benzamide (PubChem CID 62167844) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(propylamino)benzamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(propylamino)benzamide
PubChem CID62167844
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(propylamino)benzamide
SMILESCCCNc1ccccc1C(=O)Nc1c(C)n[nH]c1C
InChIInChI=1S/C15H20N4O/c1-4-9-16-13-8-6-5-7-12(13)15(20)17-14-10(2)18-19-11(14)3/h5-8,16H,4,9H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyLQDBUOHWJRHHII-UHFFFAOYSA-N
XLogP3.10
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(propylamino)benzamide
CID 104619421
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2-methoxyacetyl)amino]benzamide
CID 21369133
N-(4-methylphenyl)-2-(propylamino)benzamide
CID 62166798
N-(2-chloro-4-methyl-3-pyridinyl)-2-(propylamino)benzamide
CID 65489901
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(trifluoromethyl)benzamide
CID 43546989
N-(2-fluorophenyl)-2-(propylamino)benzamide
CID 62166035
3,5-dimethyl-N-propyl-1H-pyrazol-4-amine
CID 43547244
N-(3-chloro-2-methylphenyl)-2-(propylamino)benzamide
CID 62186612
N-(3-methylphenyl)-2-(propylamino)benzamide
CID 62171242
2-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)pyridine-3-carboxamide
CID 43547697
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2-nitrophenyl)sulfonylamino]benzamide
CID 21369135
2-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-fluorobenzamide
CID 62662395

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(propylamino)benzamide?
The IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(propylamino)benzamide (CID 62167844) is N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(propylamino)benzamide.
What is the SMILES notation for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(propylamino)benzamide?
The canonical SMILES for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(propylamino)benzamide is CCCNc1ccccc1C(=O)Nc1c(C)n[nH]c1C.
What is the InChIKey of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(propylamino)benzamide?
The InChIKey is LQDBUOHWJRHHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-4-9-16-13-8-6-5-7-12(13)15(20)17-14-10(2)18-19-11(14)3/h5-8,16H,4,9H2,1-3H3,(H,17,20)(H,18,19).
What are the key properties of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(propylamino)benzamide?
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(propylamino)benzamide has a molecular weight of 272.35 g/mol, XLogP of 3.10, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(propylamino)benzamide is sourced from PubChem (CID 62167844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).