3-amino-2-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]-3-phenylpropanamide

C16H22N4O — CID 119781515

IUPAC3-amino-2-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]-3-phenylpropanamide
SMILESCC(NC(=O)C(C)C(N)c1ccccc1)c1cnn(C)c1
InChIInChI=1S/C16H22N4O/c1-11(15(17)13-7-5-4-6-8-13)16(21)19-12(2)14-9-18-20(3)10-14/h4-12,15H,17H2,1-3H3,(H,19,21)
InChIKeyVQMFRWMMJXOJOQ-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.93
Rot. Bonds5

About 3-amino-2-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]-3-phenylpropanamide

3-amino-2-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]-3-phenylpropanamide (PubChem CID 119781515) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 3-amino-2-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]-3-phenylpropanamide
PubChem CID119781515
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name3-amino-2-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]-3-phenylpropanamide
SMILESCC(NC(=O)C(C)C(N)c1ccccc1)c1cnn(C)c1
InChIInChI=1S/C16H22N4O/c1-11(15(17)13-7-5-4-6-8-13)16(21)19-12(2)14-9-18-20(3)10-14/h4-12,15H,17H2,1-3H3,(H,19,21)
InChIKeyVQMFRWMMJXOJOQ-UHFFFAOYSA-N
XLogP1.93
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-2-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]-3-phenylpropanamide 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-amino-2-methyl-3-phenyl-N-(1-phenylethyl)propanamide;hydrochloride
CID 119669700
3-amino-2-methyl-3-phenyl-N-[(1S)-1-pyridin-3-ylethyl]propanamide;dihydrochloride
CID 119863805
2-amino-N-[1-(1-methylpyrazol-4-yl)ethyl]pentanamide;hydrochloride
CID 119322411
2-amino-N-[(1R)-1-(4-methylphenyl)ethyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 115291021
methyl 2-[1-(1-methylpyrazol-4-yl)ethylamino]-2-phenylacetate
CID 62108797
2-amino-N-[(1S)-1-(2-methylphenyl)ethyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 115291040
3-amino-2-methyl-3-phenyl-N-(1-thiophen-3-ylethyl)propanamide
CID 80552244
2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 115291026
2-amino-N-[(1R)-1-(2-chlorophenyl)ethyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 115291042
2-chloro-N-[1-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 110472970
3-amino-2-methyl-3-phenyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 119706895
3-amino-N-[1-(4-methoxyphenyl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119706532

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]-3-phenylpropanamide?
The IUPAC name of 3-amino-2-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]-3-phenylpropanamide (CID 119781515) is 3-amino-2-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]-3-phenylpropanamide.
What is the SMILES notation for 3-amino-2-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]-3-phenylpropanamide?
The canonical SMILES for 3-amino-2-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]-3-phenylpropanamide is CC(NC(=O)C(C)C(N)c1ccccc1)c1cnn(C)c1.
What is the InChIKey of 3-amino-2-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]-3-phenylpropanamide?
The InChIKey is VQMFRWMMJXOJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-11(15(17)13-7-5-4-6-8-13)16(21)19-12(2)14-9-18-20(3)10-14/h4-12,15H,17H2,1-3H3,(H,19,21).
What are the key properties of 3-amino-2-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]-3-phenylpropanamide?
3-amino-2-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]-3-phenylpropanamide has a molecular weight of 286.38 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]-3-phenylpropanamide is sourced from PubChem (CID 119781515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).