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

C15H20N4O — CID 104619421

IUPACN-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(propylamino)benzamide
SMILESCCCNc1ccccc1C(=O)Nc1n[nH]c(C)c1C
InChIInChI=1S/C15H20N4O/c1-4-9-16-13-8-6-5-7-12(13)15(20)17-14-10(2)11(3)18-19-14/h5-8,16H,4,9H2,1-3H3,(H2,17,18,19,20)
InChIKeyTXMNBHZSNUEJHL-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.10
Rot. Bonds5

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

N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(propylamino)benzamide (PubChem CID 104619421) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(propylamino)benzamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(propylamino)benzamide
PubChem CID104619421
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(propylamino)benzamide
SMILESCCCNc1ccccc1C(=O)Nc1n[nH]c(C)c1C
InChIInChI=1S/C15H20N4O/c1-4-9-16-13-8-6-5-7-12(13)15(20)17-14-10(2)11(3)18-19-14/h5-8,16H,4,9H2,1-3H3,(H2,17,18,19,20)
InChIKeyTXMNBHZSNUEJHL-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-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(propylamino)benzamide
CID 62167844
N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methylbenzamide
CID 113231423
N-(4-methylphenyl)-2-(propylamino)benzamide
CID 62166798
N-(3-chloro-2-methylphenyl)-2-(propylamino)benzamide
CID 62186612
N-(2-fluorophenyl)-2-(propylamino)benzamide
CID 62166035
2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methylbenzamide
CID 104616434
N-(3-methylphenyl)-2-(propylamino)benzamide
CID 62171242
3-amino-2-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide
CID 113433365
2-amino-3-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide
CID 113433364
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(propylamino)benzamide
CID 62177273
N-(4-chloro-2-methylphenyl)-2-(propylamino)benzamide
CID 63107746
N-(2-chloro-4-methyl-3-pyridinyl)-2-(propylamino)benzamide
CID 65489901

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(propylamino)benzamide?
The IUPAC name of N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(propylamino)benzamide (CID 104619421) is N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(propylamino)benzamide.
What is the SMILES notation for N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(propylamino)benzamide?
The canonical SMILES for N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(propylamino)benzamide is CCCNc1ccccc1C(=O)Nc1n[nH]c(C)c1C.
What is the InChIKey of N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(propylamino)benzamide?
The InChIKey is TXMNBHZSNUEJHL-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)11(3)18-19-14/h5-8,16H,4,9H2,1-3H3,(H2,17,18,19,20).
What are the key properties of N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(propylamino)benzamide?
N-(4,5-dimethyl-1H-pyrazol-3-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-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(propylamino)benzamide is sourced from PubChem (CID 104619421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).