2-amino-3-phenyl-N-(1H-pyrazol-5-ylmethyl)propanamide

C13H16N4O — CID 61285504

IUPAC2-amino-3-phenyl-N-(1H-pyrazol-5-ylmethyl)propanamide
SMILESNC(Cc1ccccc1)C(=O)NCc1ccn[nH]1
InChIInChI=1S/C13H16N4O/c14-12(8-10-4-2-1-3-5-10)13(18)15-9-11-6-7-16-17-11/h1-7,12H,8-9,14H2,(H,15,18)(H,16,17)
InChIKeyYZMXPXNQDMYDNR-UHFFFAOYSA-N
MW244.30 g/mol
LogP0.60
Rot. Bonds5

About 2-amino-3-phenyl-N-(1H-pyrazol-5-ylmethyl)propanamide

2-amino-3-phenyl-N-(1H-pyrazol-5-ylmethyl)propanamide (PubChem CID 61285504) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 2-amino-3-phenyl-N-(1H-pyrazol-5-ylmethyl)propanamide.

Molecular Properties

Compound Name2-amino-3-phenyl-N-(1H-pyrazol-5-ylmethyl)propanamide
PubChem CID61285504
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name2-amino-3-phenyl-N-(1H-pyrazol-5-ylmethyl)propanamide
SMILESNC(Cc1ccccc1)C(=O)NCc1ccn[nH]1
InChIInChI=1S/C13H16N4O/c14-12(8-10-4-2-1-3-5-10)13(18)15-9-11-6-7-16-17-11/h1-7,12H,8-9,14H2,(H,15,18)(H,16,17)
InChIKeyYZMXPXNQDMYDNR-UHFFFAOYSA-N
XLogP0.60
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 ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(1H-pyrazol-5-ylmethyl)butanediamide
CID 61285108
(2S)-2-amino-3-phenyl-N-(1H-pyrazol-4-ylmethyl)propanamide
CID 93428558
2-phenylmethoxy-N-(1H-pyrazol-5-ylmethyl)propanamide
CID 47286046
2-amino-4-methylsulfonyl-N-(1H-pyrazol-5-ylmethyl)butanamide
CID 61284119
2-amino-3-phenyl-N-(pyridin-2-ylmethyl)propanamide;hydrochloride
CID 56832236
(2S)-3-methyl-2-[(2-phenylacetyl)amino]-N-(1H-pyrazol-5-ylmethyl)butanamide
CID 94032780
2,2-difluoro-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 103514034
(2R)-2-amino-3-phenyl-N-(1,3-thiazol-2-ylmethyl)propanamide
CID 78985618
2-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-3-phenylpropanamide
CID 107231056
(2R)-2-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-3-phenylpropanamide
CID 107231146
2-amino-N-[(2-chlorophenyl)methyl]-3-phenylpropanamide
CID 24706399
(2S)-2-amino-3-phenyl-N-(1H-pyrrol-3-ylmethyl)propanamide
CID 106384850

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-phenyl-N-(1H-pyrazol-5-ylmethyl)propanamide?
The IUPAC name of 2-amino-3-phenyl-N-(1H-pyrazol-5-ylmethyl)propanamide (CID 61285504) is 2-amino-3-phenyl-N-(1H-pyrazol-5-ylmethyl)propanamide.
What is the SMILES notation for 2-amino-3-phenyl-N-(1H-pyrazol-5-ylmethyl)propanamide?
The canonical SMILES for 2-amino-3-phenyl-N-(1H-pyrazol-5-ylmethyl)propanamide is NC(Cc1ccccc1)C(=O)NCc1ccn[nH]1.
What is the InChIKey of 2-amino-3-phenyl-N-(1H-pyrazol-5-ylmethyl)propanamide?
The InChIKey is YZMXPXNQDMYDNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c14-12(8-10-4-2-1-3-5-10)13(18)15-9-11-6-7-16-17-11/h1-7,12H,8-9,14H2,(H,15,18)(H,16,17).
What are the key properties of 2-amino-3-phenyl-N-(1H-pyrazol-5-ylmethyl)propanamide?
2-amino-3-phenyl-N-(1H-pyrazol-5-ylmethyl)propanamide has a molecular weight of 244.30 g/mol, XLogP of 0.60, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-phenyl-N-(1H-pyrazol-5-ylmethyl)propanamide is sourced from PubChem (CID 61285504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).