N-[(5-amino-1-methylpyrazol-4-yl)methyl]-4-methylbenzamide

C13H16N4O — CID 79523593

IUPACN-[(5-amino-1-methylpyrazol-4-yl)methyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCc2cnn(C)c2N)cc1
InChIInChI=1S/C13H16N4O/c1-9-3-5-10(6-4-9)13(18)15-7-11-8-16-17(2)12(11)14/h3-6,8H,7,14H2,1-2H3,(H,15,18)
InChIKeyPNXPRFQSTLQOOW-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.24
Rot. Bonds3

About N-[(5-amino-1-methylpyrazol-4-yl)methyl]-4-methylbenzamide

N-[(5-amino-1-methylpyrazol-4-yl)methyl]-4-methylbenzamide (PubChem CID 79523593) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is N-[(5-amino-1-methylpyrazol-4-yl)methyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[(5-amino-1-methylpyrazol-4-yl)methyl]-4-methylbenzamide
PubChem CID79523593
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC NameN-[(5-amino-1-methylpyrazol-4-yl)methyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCc2cnn(C)c2N)cc1
InChIInChI=1S/C13H16N4O/c1-9-3-5-10(6-4-9)13(18)15-7-11-8-16-17(2)12(11)14/h3-6,8H,7,14H2,1-2H3,(H,15,18)
InChIKeyPNXPRFQSTLQOOW-UHFFFAOYSA-N
XLogP1.24
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 ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(5-amino-1-methylpyrazol-4-yl)methyl]-4-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(5-amino-1-methylpyrazol-4-yl)methyl]furan-3-carboxamide
CID 79523860
N-[(5-amino-1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 79524448
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-1H-pyrazole-4-carboxamide
CID 79523487
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-1H-indole-6-carboxamide
CID 79523236
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 106041082
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-3-hydroxypyridine-2-carboxamide
CID 79523767
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-5-fluoro-2-methylbenzamide
CID 79524292
3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylbenzamide
CID 102978759
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2,3-dichlorobenzamide
CID 79523235
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-fluoro-6-hydroxybenzamide
CID 107015976
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-3-methyl-2-nitrobenzamide
CID 79531428
4-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-fluorobenzamide
CID 106032758

Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-1-methylpyrazol-4-yl)methyl]-4-methylbenzamide?
The IUPAC name of N-[(5-amino-1-methylpyrazol-4-yl)methyl]-4-methylbenzamide (CID 79523593) is N-[(5-amino-1-methylpyrazol-4-yl)methyl]-4-methylbenzamide.
What is the SMILES notation for N-[(5-amino-1-methylpyrazol-4-yl)methyl]-4-methylbenzamide?
The canonical SMILES for N-[(5-amino-1-methylpyrazol-4-yl)methyl]-4-methylbenzamide is Cc1ccc(C(=O)NCc2cnn(C)c2N)cc1.
What is the InChIKey of N-[(5-amino-1-methylpyrazol-4-yl)methyl]-4-methylbenzamide?
The InChIKey is PNXPRFQSTLQOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-9-3-5-10(6-4-9)13(18)15-7-11-8-16-17(2)12(11)14/h3-6,8H,7,14H2,1-2H3,(H,15,18).
What are the key properties of N-[(5-amino-1-methylpyrazol-4-yl)methyl]-4-methylbenzamide?
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-4-methylbenzamide has a molecular weight of 244.30 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-1-methylpyrazol-4-yl)methyl]-4-methylbenzamide is sourced from PubChem (CID 79523593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).