3-amino-2-phenyl-N-(1H-pyrazol-4-ylmethyl)propanamide

C13H16N4O — CID 62877321

IUPAC3-amino-2-phenyl-N-(1H-pyrazol-4-ylmethyl)propanamide
SMILESNCC(C(=O)NCc1cn[nH]c1)c1ccccc1
InChIInChI=1S/C13H16N4O/c14-6-12(11-4-2-1-3-5-11)13(18)15-7-10-8-16-17-9-10/h1-5,8-9,12H,6-7,14H2,(H,15,18)(H,16,17)
InChIKeyGOQDQXAZGFUGEQ-UHFFFAOYSA-N
MW244.30 g/mol
LogP0.77
Rot. Bonds5

About 3-amino-2-phenyl-N-(1H-pyrazol-4-ylmethyl)propanamide

3-amino-2-phenyl-N-(1H-pyrazol-4-ylmethyl)propanamide (PubChem CID 62877321) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 3-amino-2-phenyl-N-(1H-pyrazol-4-ylmethyl)propanamide.

Molecular Properties

Compound Name3-amino-2-phenyl-N-(1H-pyrazol-4-ylmethyl)propanamide
PubChem CID62877321
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name3-amino-2-phenyl-N-(1H-pyrazol-4-ylmethyl)propanamide
SMILESNCC(C(=O)NCc1cn[nH]c1)c1ccccc1
InChIInChI=1S/C13H16N4O/c14-6-12(11-4-2-1-3-5-11)13(18)15-7-10-8-16-17-9-10/h1-5,8-9,12H,6-7,14H2,(H,15,18)(H,16,17)
InChIKeyGOQDQXAZGFUGEQ-UHFFFAOYSA-N
XLogP0.77
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-amino-2-phenyl-N-(1H-pyrazol-4-ylmethyl)propanamide 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

(2S)-2-amino-3-phenyl-N-(1H-pyrazol-4-ylmethyl)propanamide
CID 93428558
3-methyl-2-phenyl-N-(1H-pyrazol-4-ylmethyl)pentanamide
CID 60999920
4-amino-4-phenyl-N-(1H-pyrazol-4-ylmethyl)butanamide
CID 55205488
2,2-difluoro-N-(1H-pyrazol-4-ylmethyl)acetamide
CID 103514032
2-methyl-N-(1H-pyrazol-4-ylmethyl)propanamide
CID 60735981
(2R)-2-amino-3-methyl-N-(1H-pyrazol-4-ylmethyl)butanamide
CID 79012897
2-methyl-N-(1H-pyrazol-4-ylmethyl)butanamide
CID 60735814
3-amino-2-phenyl-N-(2-phenylethyl)propanamide
CID 62879042
3-amino-2-phenyl-N-(1,3-thiazol-2-ylmethyl)propanamide
CID 62878373
3-amino-N-[2-(4-hydroxyphenyl)ethyl]-2-phenylpropanamide
CID 62878017
3-amino-N-[[2-(ethoxymethyl)phenyl]methyl]-2-phenylpropanamide
CID 119718321
2-[2-(aminomethyl)phenoxy]-N-(1H-pyrazol-4-ylmethyl)acetamide
CID 54982506

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-phenyl-N-(1H-pyrazol-4-ylmethyl)propanamide?
The IUPAC name of 3-amino-2-phenyl-N-(1H-pyrazol-4-ylmethyl)propanamide (CID 62877321) is 3-amino-2-phenyl-N-(1H-pyrazol-4-ylmethyl)propanamide.
What is the SMILES notation for 3-amino-2-phenyl-N-(1H-pyrazol-4-ylmethyl)propanamide?
The canonical SMILES for 3-amino-2-phenyl-N-(1H-pyrazol-4-ylmethyl)propanamide is NCC(C(=O)NCc1cn[nH]c1)c1ccccc1.
What is the InChIKey of 3-amino-2-phenyl-N-(1H-pyrazol-4-ylmethyl)propanamide?
The InChIKey is GOQDQXAZGFUGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c14-6-12(11-4-2-1-3-5-11)13(18)15-7-10-8-16-17-9-10/h1-5,8-9,12H,6-7,14H2,(H,15,18)(H,16,17).
What are the key properties of 3-amino-2-phenyl-N-(1H-pyrazol-4-ylmethyl)propanamide?
3-amino-2-phenyl-N-(1H-pyrazol-4-ylmethyl)propanamide has a molecular weight of 244.30 g/mol, XLogP of 0.77, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-phenyl-N-(1H-pyrazol-4-ylmethyl)propanamide is sourced from PubChem (CID 62877321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).