3-amino-2-methyl-N-(4-pyrazol-1-ylphenyl)propanamide

C13H16N4O — CID 62671376

IUPAC3-amino-2-methyl-N-(4-pyrazol-1-ylphenyl)propanamide
SMILESCC(CN)C(=O)Nc1ccc(-n2cccn2)cc1
InChIInChI=1S/C13H16N4O/c1-10(9-14)13(18)16-11-3-5-12(6-4-11)17-8-2-7-15-17/h2-8,10H,9,14H2,1H3,(H,16,18)
InChIKeyXSMFVEOYUAZJJP-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.41
Rot. Bonds4

About 3-amino-2-methyl-N-(4-pyrazol-1-ylphenyl)propanamide

3-amino-2-methyl-N-(4-pyrazol-1-ylphenyl)propanamide (PubChem CID 62671376) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 3-amino-2-methyl-N-(4-pyrazol-1-ylphenyl)propanamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-(4-pyrazol-1-ylphenyl)propanamide
PubChem CID62671376
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name3-amino-2-methyl-N-(4-pyrazol-1-ylphenyl)propanamide
SMILESCC(CN)C(=O)Nc1ccc(-n2cccn2)cc1
InChIInChI=1S/C13H16N4O/c1-10(9-14)13(18)16-11-3-5-12(6-4-11)17-8-2-7-15-17/h2-8,10H,9,14H2,1H3,(H,16,18)
InChIKeyXSMFVEOYUAZJJP-UHFFFAOYSA-N
XLogP1.41
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-2-methyl-N-(4-pyrazol-1-ylphenyl)propanamide
CID 62726808
2-methyl-3-(methylamino)-N-(4-pyrazol-1-ylphenyl)propanamide;hydrochloride
CID 119702362
(2R)-2-amino-N-(4-pyrazol-1-ylphenyl)propanamide
CID 78971911
2-chloro-N-(4-pyrazol-1-ylphenyl)propanamide
CID 43697897
2-amino-N-(4-pyrazol-1-ylphenyl)pentanamide
CID 43704133
(2S,3S)-2-amino-3-methyl-N-(4-pyrazol-1-ylphenyl)pentanamide
CID 61180755
(2S)-2-amino-3,3-dimethyl-N-(4-pyrazol-1-ylphenyl)butanamide
CID 61177988
(2R)-3-(4-chloropyrazol-1-yl)-2-methyl-N-(4-pyrazol-1-ylphenyl)propanamide
CID 35535310
3-amino-4-oxo-4-(4-pyrazol-1-ylanilino)butanoic acid
CID 64895291
1-propan-2-yl-3-(4-pyrazol-1-ylphenyl)urea
CID 110748862
4-amino-3-methoxy-N-(4-pyrazol-1-ylphenyl)butanamide;hydrochloride
CID 120587813
5-amino-N-(4-pyrazol-1-ylphenyl)hexanamide
CID 82848976

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-(4-pyrazol-1-ylphenyl)propanamide?
The IUPAC name of 3-amino-2-methyl-N-(4-pyrazol-1-ylphenyl)propanamide (CID 62671376) is 3-amino-2-methyl-N-(4-pyrazol-1-ylphenyl)propanamide.
What is the SMILES notation for 3-amino-2-methyl-N-(4-pyrazol-1-ylphenyl)propanamide?
The canonical SMILES for 3-amino-2-methyl-N-(4-pyrazol-1-ylphenyl)propanamide is CC(CN)C(=O)Nc1ccc(-n2cccn2)cc1.
What is the InChIKey of 3-amino-2-methyl-N-(4-pyrazol-1-ylphenyl)propanamide?
The InChIKey is XSMFVEOYUAZJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-10(9-14)13(18)16-11-3-5-12(6-4-11)17-8-2-7-15-17/h2-8,10H,9,14H2,1H3,(H,16,18).
What are the key properties of 3-amino-2-methyl-N-(4-pyrazol-1-ylphenyl)propanamide?
3-amino-2-methyl-N-(4-pyrazol-1-ylphenyl)propanamide has a molecular weight of 244.30 g/mol, XLogP of 1.41, 4 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-(4-pyrazol-1-ylphenyl)propanamide is sourced from PubChem (CID 62671376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).