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

C13H16N4O — CID 103796977

IUPAC4-(aminomethyl)-N-(1,3-dimethylpyrazol-4-yl)benzamide
SMILESCc1nn(C)cc1NC(=O)c1ccc(CN)cc1
InChIInChI=1S/C13H16N4O/c1-9-12(8-17(2)16-9)15-13(18)11-5-3-10(7-14)4-6-11/h3-6,8H,7,14H2,1-2H3,(H,15,18)
InChIKeyJXMUWHFYUCUBFC-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.44
Rot. Bonds3

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

4-(aminomethyl)-N-(1,3-dimethylpyrazol-4-yl)benzamide (PubChem CID 103796977) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(1,3-dimethylpyrazol-4-yl)benzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(1,3-dimethylpyrazol-4-yl)benzamide
PubChem CID103796977
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name4-(aminomethyl)-N-(1,3-dimethylpyrazol-4-yl)benzamide
SMILESCc1nn(C)cc1NC(=O)c1ccc(CN)cc1
InChIInChI=1S/C13H16N4O/c1-9-12(8-17(2)16-9)15-13(18)11-5-3-10(7-14)4-6-11/h3-6,8H,7,14H2,1-2H3,(H,15,18)
InChIKeyJXMUWHFYUCUBFC-UHFFFAOYSA-N
XLogP1.44
TPSA72.94 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 ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(1,3-dimethylpyrazol-4-yl)benzamide
CID 19346186
methyl 4-[(1,3-dimethylpyrazol-4-yl)carbamoyl]benzoate
CID 19346192
N-(1,3-dimethylpyrazol-4-yl)-4-ethoxybenzamide
CID 19346026
N-(1,3-dimethylpyrazol-4-yl)-4-(propylamino)benzamide
CID 102807314
N-(1,3-dimethylpyrazol-4-yl)-3-methylbenzamide
CID 19346010
N-(1,3-dimethylpyrazol-4-yl)-3-hydroxy-4-methylbenzamide
CID 113358549
4-amino-N-[2-[(1,3-dimethylpyrazol-4-yl)amino]-2-oxoethyl]benzamide
CID 102805519
4-amino-3-chloro-N-(1,3-dimethylpyrazol-4-yl)benzamide
CID 102803289
N-(1,3-dimethylpyrazol-4-yl)-3,4-diethoxybenzamide
CID 19346004
5-[(1,3-dimethylpyrazol-4-yl)carbamoyl]furan-2-carboxylic acid
CID 102806931
3-chloro-N-(1,3-dimethylpyrazol-4-yl)-4-iodobenzamide
CID 113251749
4-(aminomethyl)-N-(2,4,5-trimethylphenyl)benzamide
CID 115161218

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(1,3-dimethylpyrazol-4-yl)benzamide?
The IUPAC name of 4-(aminomethyl)-N-(1,3-dimethylpyrazol-4-yl)benzamide (CID 103796977) is 4-(aminomethyl)-N-(1,3-dimethylpyrazol-4-yl)benzamide.
What is the SMILES notation for 4-(aminomethyl)-N-(1,3-dimethylpyrazol-4-yl)benzamide?
The canonical SMILES for 4-(aminomethyl)-N-(1,3-dimethylpyrazol-4-yl)benzamide is Cc1nn(C)cc1NC(=O)c1ccc(CN)cc1.
What is the InChIKey of 4-(aminomethyl)-N-(1,3-dimethylpyrazol-4-yl)benzamide?
The InChIKey is JXMUWHFYUCUBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-9-12(8-17(2)16-9)15-13(18)11-5-3-10(7-14)4-6-11/h3-6,8H,7,14H2,1-2H3,(H,15,18).
What are the key properties of 4-(aminomethyl)-N-(1,3-dimethylpyrazol-4-yl)benzamide?
4-(aminomethyl)-N-(1,3-dimethylpyrazol-4-yl)benzamide has a molecular weight of 244.30 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(1,3-dimethylpyrazol-4-yl)benzamide is sourced from PubChem (CID 103796977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).