2-amino-N-[(1-benzylpyrazol-4-yl)methyl]pentanamide

C16H22N4O — CID 119291880

IUPAC2-amino-N-[(1-benzylpyrazol-4-yl)methyl]pentanamide
SMILESCCCC(N)C(=O)NCc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C16H22N4O/c1-2-6-15(17)16(21)18-9-14-10-19-20(12-14)11-13-7-4-3-5-8-13/h3-5,7-8,10,12,15H,2,6,9,11,17H2,1H3,(H,18,21)
InChIKeyAETLVLUMTSPXHB-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.67
Rot. Bonds7

About 2-amino-N-[(1-benzylpyrazol-4-yl)methyl]pentanamide

2-amino-N-[(1-benzylpyrazol-4-yl)methyl]pentanamide (PubChem CID 119291880) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-amino-N-[(1-benzylpyrazol-4-yl)methyl]pentanamide.

Molecular Properties

Compound Name2-amino-N-[(1-benzylpyrazol-4-yl)methyl]pentanamide
PubChem CID119291880
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name2-amino-N-[(1-benzylpyrazol-4-yl)methyl]pentanamide
SMILESCCCC(N)C(=O)NCc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C16H22N4O/c1-2-6-15(17)16(21)18-9-14-10-19-20(12-14)11-13-7-4-3-5-8-13/h3-5,7-8,10,12,15H,2,6,9,11,17H2,1H3,(H,18,21)
InChIKeyAETLVLUMTSPXHB-UHFFFAOYSA-N
XLogP1.67
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-N-[(1-benzylpyrazol-4-yl)methyl]pentanamide 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

2-amino-N-benzylpentanamide
CID 11020044
2-amino-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pentanamide;hydrochloride
CID 119301023
ethyl 2-amino-3-(1-benzylpyrazol-4-yl)propanoate
CID 83440945
ethyl 2-[(1-benzylpyrazol-4-yl)methylamino]propanoate
CID 61498436
ethyl 2-amino-3-(1-benzylpyrazol-4-yl)propanoate;dihydrochloride
CID 132585364
cis-(1R,3S)-3-[(1-benzylpyrazol-4-yl)methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122065323
2-(aminomethyl)-N-(1-benzylpyrazol-4-yl)pentanamide
CID 65229818
(1-benzylpyrazol-4-yl)methylhydrazine
CID 130820345
N-[(1-benzylpyrazol-4-yl)methyl]-2-(4-methylphenyl)acetamide
CID 86990135
3-[[[(2R)-2-aminopentanoyl]amino]methyl]benzamide
CID 103795148
2-[[(1-benzylpyrazol-4-yl)methylamino]methyl]-2-ethylbutanoic acid
CID 122129185
3-amino-4-[(1-methylpyrazol-4-yl)methylamino]-4-oxobutanoic acid
CID 64895759

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1-benzylpyrazol-4-yl)methyl]pentanamide?
The IUPAC name of 2-amino-N-[(1-benzylpyrazol-4-yl)methyl]pentanamide (CID 119291880) is 2-amino-N-[(1-benzylpyrazol-4-yl)methyl]pentanamide.
What is the SMILES notation for 2-amino-N-[(1-benzylpyrazol-4-yl)methyl]pentanamide?
The canonical SMILES for 2-amino-N-[(1-benzylpyrazol-4-yl)methyl]pentanamide is CCCC(N)C(=O)NCc1cnn(Cc2ccccc2)c1.
What is the InChIKey of 2-amino-N-[(1-benzylpyrazol-4-yl)methyl]pentanamide?
The InChIKey is AETLVLUMTSPXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-2-6-15(17)16(21)18-9-14-10-19-20(12-14)11-13-7-4-3-5-8-13/h3-5,7-8,10,12,15H,2,6,9,11,17H2,1H3,(H,18,21).
What are the key properties of 2-amino-N-[(1-benzylpyrazol-4-yl)methyl]pentanamide?
2-amino-N-[(1-benzylpyrazol-4-yl)methyl]pentanamide has a molecular weight of 286.38 g/mol, XLogP of 1.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1-benzylpyrazol-4-yl)methyl]pentanamide is sourced from PubChem (CID 119291880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).