2-methyl-4-(methylamino)-N-(1-methylpyrazol-4-yl)benzamide

C13H16N4O — CID 113400170

IUPAC2-methyl-4-(methylamino)-N-(1-methylpyrazol-4-yl)benzamide
SMILESCNc1ccc(C(=O)Nc2cnn(C)c2)c(C)c1
InChIInChI=1S/C13H16N4O/c1-9-6-10(14-2)4-5-12(9)13(18)16-11-7-15-17(3)8-11/h4-8,14H,1-3H3,(H,16,18)
InChIKeySPJPDKWNMRVRLH-UHFFFAOYSA-N
MW244.30 g/mol
LogP2.02
Rot. Bonds3

About 2-methyl-4-(methylamino)-N-(1-methylpyrazol-4-yl)benzamide

2-methyl-4-(methylamino)-N-(1-methylpyrazol-4-yl)benzamide (PubChem CID 113400170) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 2-methyl-4-(methylamino)-N-(1-methylpyrazol-4-yl)benzamide.

Molecular Properties

Compound Name2-methyl-4-(methylamino)-N-(1-methylpyrazol-4-yl)benzamide
PubChem CID113400170
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name2-methyl-4-(methylamino)-N-(1-methylpyrazol-4-yl)benzamide
SMILESCNc1ccc(C(=O)Nc2cnn(C)c2)c(C)c1
InChIInChI=1S/C13H16N4O/c1-9-6-10(14-2)4-5-12(9)13(18)16-11-7-15-17(3)8-11/h4-8,14H,1-3H3,(H,16,18)
InChIKeySPJPDKWNMRVRLH-UHFFFAOYSA-N
XLogP2.02
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dimethyl-N-(1-methylpyrazol-4-yl)thiophene-3-carboxamide
CID 32605378
2-bromo-4-fluoro-N-(1-methylpyrazol-4-yl)benzamide
CID 32605512
2-methyl-4-(methylamino)-N-thiophen-3-ylbenzamide
CID 113400222
5-fluoro-2-(methylamino)-N-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 114034924
6-methyl-N-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 43074255
4-fluoro-N-(1-methylpyrazol-4-yl)benzamide
CID 60749610
2-methyl-4-[(1-methylpyrazol-4-yl)amino]benzenecarbothioamide
CID 81276848
2-(methylamino)-N-(1-methylpyrazol-4-yl)-3-nitrobenzamide
CID 115936516
4-hydrazinyl-N-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 81256149
N-(1-methylpyrazol-4-yl)-4-methylsulfonylbenzamide
CID 32604546
6-[(1-methylpyrazol-4-yl)carbamoyl]pyridine-3-carboxylic acid
CID 43429931
2-chloro-5-fluoro-N-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 103891962

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(methylamino)-N-(1-methylpyrazol-4-yl)benzamide?
The IUPAC name of 2-methyl-4-(methylamino)-N-(1-methylpyrazol-4-yl)benzamide (CID 113400170) is 2-methyl-4-(methylamino)-N-(1-methylpyrazol-4-yl)benzamide.
What is the SMILES notation for 2-methyl-4-(methylamino)-N-(1-methylpyrazol-4-yl)benzamide?
The canonical SMILES for 2-methyl-4-(methylamino)-N-(1-methylpyrazol-4-yl)benzamide is CNc1ccc(C(=O)Nc2cnn(C)c2)c(C)c1.
What is the InChIKey of 2-methyl-4-(methylamino)-N-(1-methylpyrazol-4-yl)benzamide?
The InChIKey is SPJPDKWNMRVRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-9-6-10(14-2)4-5-12(9)13(18)16-11-7-15-17(3)8-11/h4-8,14H,1-3H3,(H,16,18).
What are the key properties of 2-methyl-4-(methylamino)-N-(1-methylpyrazol-4-yl)benzamide?
2-methyl-4-(methylamino)-N-(1-methylpyrazol-4-yl)benzamide has a molecular weight of 244.30 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(methylamino)-N-(1-methylpyrazol-4-yl)benzamide is sourced from PubChem (CID 113400170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).