3-methyl-N-(2-methylpyrazol-3-yl)-4-(propylamino)benzamide

C15H20N4O — CID 63214108

IUPAC3-methyl-N-(2-methylpyrazol-3-yl)-4-(propylamino)benzamide
SMILESCCCNc1ccc(C(=O)Nc2ccnn2C)cc1C
InChIInChI=1S/C15H20N4O/c1-4-8-16-13-6-5-12(10-11(13)2)15(20)18-14-7-9-17-19(14)3/h5-7,9-10,16H,4,8H2,1-3H3,(H,18,20)
InChIKeyLXXAFECLQDFZNW-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.80
Rot. Bonds5

About 3-methyl-N-(2-methylpyrazol-3-yl)-4-(propylamino)benzamide

3-methyl-N-(2-methylpyrazol-3-yl)-4-(propylamino)benzamide (PubChem CID 63214108) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-methyl-N-(2-methylpyrazol-3-yl)-4-(propylamino)benzamide.

Molecular Properties

Compound Name3-methyl-N-(2-methylpyrazol-3-yl)-4-(propylamino)benzamide
PubChem CID63214108
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name3-methyl-N-(2-methylpyrazol-3-yl)-4-(propylamino)benzamide
SMILESCCCNc1ccc(C(=O)Nc2ccnn2C)cc1C
InChIInChI=1S/C15H20N4O/c1-4-8-16-13-6-5-12(10-11(13)2)15(20)18-14-7-9-17-19(14)3/h5-7,9-10,16H,4,8H2,1-3H3,(H,18,20)
InChIKeyLXXAFECLQDFZNW-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

4-hydrazinyl-3-methyl-N-(2-methylpyrazol-3-yl)benzamide
CID 63211576
4-hydroxy-3-methyl-N-(2-methylpyrazol-3-yl)benzamide
CID 103956818
3-methyl-4-(propylamino)-N-pyridin-3-ylbenzamide
CID 63210058
3-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4-(propylamino)benzamide
CID 63210151
3-methyl-4-(propylamino)-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 63213934
N-(5-chloro-2-pyridinyl)-3-methyl-4-(propylamino)benzamide
CID 63210683
N-(2-methylpyrazol-3-yl)pyridine-4-carboxamide
CID 110471287
N-(1-amino-2-methyl-1-oxopropan-2-yl)-3-methyl-4-(propylamino)benzamide
CID 63213686
3-methyl-N-(2-methylsulfanylethyl)-4-(propylamino)benzamide
CID 63963366
N-(3-amino-3-oxopropyl)-3-methyl-4-(propylamino)benzamide
CID 63210532
4-bromo-3-chloro-N-(2-methylpyrazol-3-yl)benzamide
CID 81005079
3-fluoro-N-(2-methylpyrazol-3-yl)benzamide
CID 110472464

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-methylpyrazol-3-yl)-4-(propylamino)benzamide?
The IUPAC name of 3-methyl-N-(2-methylpyrazol-3-yl)-4-(propylamino)benzamide (CID 63214108) is 3-methyl-N-(2-methylpyrazol-3-yl)-4-(propylamino)benzamide.
What is the SMILES notation for 3-methyl-N-(2-methylpyrazol-3-yl)-4-(propylamino)benzamide?
The canonical SMILES for 3-methyl-N-(2-methylpyrazol-3-yl)-4-(propylamino)benzamide is CCCNc1ccc(C(=O)Nc2ccnn2C)cc1C.
What is the InChIKey of 3-methyl-N-(2-methylpyrazol-3-yl)-4-(propylamino)benzamide?
The InChIKey is LXXAFECLQDFZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-4-8-16-13-6-5-12(10-11(13)2)15(20)18-14-7-9-17-19(14)3/h5-7,9-10,16H,4,8H2,1-3H3,(H,18,20).
What are the key properties of 3-methyl-N-(2-methylpyrazol-3-yl)-4-(propylamino)benzamide?
3-methyl-N-(2-methylpyrazol-3-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 3-methyl-N-(2-methylpyrazol-3-yl)-4-(propylamino)benzamide is sourced from PubChem (CID 63214108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).