N-[3-[(3-cyclopentyl-1-methylpyrazol-4-yl)methylamino]-2-methylphenyl]acetamide

C19H26N4O — CID 136568790

IUPACN-[3-[(3-cyclopentyl-1-methylpyrazol-4-yl)methylamino]-2-methylphenyl]acetamide
SMILESCC(=O)Nc1cccc(NCc2cn(C)nc2C2CCCC2)c1C
InChIInChI=1S/C19H26N4O/c1-13-17(9-6-10-18(13)21-14(2)24)20-11-16-12-23(3)22-19(16)15-7-4-5-8-15/h6,9-10,12,15,20H,4-5,7-8,11H2,1-3H3,(H,21,24)
InChIKeyZLRYVUNWDYZBMT-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.96
Rot. Bonds5

About N-[3-[(3-cyclopentyl-1-methylpyrazol-4-yl)methylamino]-2-methylphenyl]acetamide

N-[3-[(3-cyclopentyl-1-methylpyrazol-4-yl)methylamino]-2-methylphenyl]acetamide (PubChem CID 136568790) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is N-[3-[(3-cyclopentyl-1-methylpyrazol-4-yl)methylamino]-2-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(3-cyclopentyl-1-methylpyrazol-4-yl)methylamino]-2-methylphenyl]acetamide
PubChem CID136568790
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC NameN-[3-[(3-cyclopentyl-1-methylpyrazol-4-yl)methylamino]-2-methylphenyl]acetamide
SMILESCC(=O)Nc1cccc(NCc2cn(C)nc2C2CCCC2)c1C
InChIInChI=1S/C19H26N4O/c1-13-17(9-6-10-18(13)21-14(2)24)20-11-16-12-23(3)22-19(16)15-7-4-5-8-15/h6,9-10,12,15,20H,4-5,7-8,11H2,1-3H3,(H,21,24)
InChIKeyZLRYVUNWDYZBMT-UHFFFAOYSA-N
XLogP3.96
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-[(3-cyclopentyl-1-methylpyrazol-4-yl)methylamino]-2-methylphenyl]acetamide 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

3-[(3-cyclopentyl-1-methylpyrazol-4-yl)methylamino]-N-ethyl-4-methylbenzamide
CID 136568853
methyl 4-[(3-cyclohexyl-1-methylpyrazol-4-yl)methylamino]piperidine-1-carboxylate
CID 75503439
2-(3-acetamido-2-methylanilino)-N-cyclooctylacetamide
CID 34067869
methyl 3-[(1,3-dimethylpyrazol-4-yl)methylamino]-2-methylbenzoate
CID 83086650
1-(3-cyclopropyl-1-methylpyrazol-4-yl)-N-methylmethanamine
CID 83826856
N-[2-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]phenyl]acetamide
CID 115768047
(E)-2-cyano-3-(3-cyclobutyl-1-methylpyrazol-4-yl)-N-(2,3-dimethylphenyl)prop-2-enamide
CID 166410713
3-[[(3-cyclopropyl-1-methylpyrazol-4-yl)amino]methyl]benzoic acid
CID 122034612
3-cyclopropyl-4-ethyl-1-methylpyrazole
CID 126759747
3-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-(2-hydroxyethyl)-2-methylbenzamide
CID 109480053
2-chloro-N-(3-cyclobutyl-1-methylpyrazol-4-yl)acetamide
CID 166410231
N-(3-acetamido-2-methylphenyl)cyclopropanecarboxamide
CID 46761229

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-cyclopentyl-1-methylpyrazol-4-yl)methylamino]-2-methylphenyl]acetamide?
The IUPAC name of N-[3-[(3-cyclopentyl-1-methylpyrazol-4-yl)methylamino]-2-methylphenyl]acetamide (CID 136568790) is N-[3-[(3-cyclopentyl-1-methylpyrazol-4-yl)methylamino]-2-methylphenyl]acetamide.
What is the SMILES notation for N-[3-[(3-cyclopentyl-1-methylpyrazol-4-yl)methylamino]-2-methylphenyl]acetamide?
The canonical SMILES for N-[3-[(3-cyclopentyl-1-methylpyrazol-4-yl)methylamino]-2-methylphenyl]acetamide is CC(=O)Nc1cccc(NCc2cn(C)nc2C2CCCC2)c1C.
What is the InChIKey of N-[3-[(3-cyclopentyl-1-methylpyrazol-4-yl)methylamino]-2-methylphenyl]acetamide?
The InChIKey is ZLRYVUNWDYZBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-13-17(9-6-10-18(13)21-14(2)24)20-11-16-12-23(3)22-19(16)15-7-4-5-8-15/h6,9-10,12,15,20H,4-5,7-8,11H2,1-3H3,(H,21,24).
What are the key properties of N-[3-[(3-cyclopentyl-1-methylpyrazol-4-yl)methylamino]-2-methylphenyl]acetamide?
N-[3-[(3-cyclopentyl-1-methylpyrazol-4-yl)methylamino]-2-methylphenyl]acetamide has a molecular weight of 326.44 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-cyclopentyl-1-methylpyrazol-4-yl)methylamino]-2-methylphenyl]acetamide is sourced from PubChem (CID 136568790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).