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

C13H16N4O — CID 93428558

IUPAC(2S)-2-amino-3-phenyl-N-(1H-pyrazol-4-ylmethyl)propanamide
SMILESN[C@@H](Cc1ccccc1)C(=O)NCc1cn[nH]c1
InChIInChI=1S/C13H16N4O/c14-12(6-10-4-2-1-3-5-10)13(18)15-7-11-8-16-17-9-11/h1-5,8-9,12H,6-7,14H2,(H,15,18)(H,16,17)/t12-/m0/s1
InChIKeyRCJDBXZBLIXLBP-LBPRGKRZSA-N
MW244.30 g/mol
LogP0.60
Rot. Bonds5

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

(2S)-2-amino-3-phenyl-N-(1H-pyrazol-4-ylmethyl)propanamide (PubChem CID 93428558) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is (2S)-2-amino-3-phenyl-N-(1H-pyrazol-4-ylmethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-phenyl-N-(1H-pyrazol-4-ylmethyl)propanamide
PubChem CID93428558
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name(2S)-2-amino-3-phenyl-N-(1H-pyrazol-4-ylmethyl)propanamide
SMILESN[C@@H](Cc1ccccc1)C(=O)NCc1cn[nH]c1
InChIInChI=1S/C13H16N4O/c14-12(6-10-4-2-1-3-5-10)13(18)15-7-11-8-16-17-9-11/h1-5,8-9,12H,6-7,14H2,(H,15,18)(H,16,17)/t12-/m0/s1
InChIKeyRCJDBXZBLIXLBP-LBPRGKRZSA-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

(2S)-2-amino-3-phenyl-N-(1H-pyrrol-3-ylmethyl)propanamide
CID 106384850
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CID 62877321
2-amino-3-phenyl-N-(1H-pyrazol-5-ylmethyl)propanamide
CID 61285504
(2R)-2-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-3-phenylpropanamide
CID 107231146
2-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-3-phenylpropanamide
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(2S)-2-amino-3-phenyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
CID 106212809
2-methyl-N-(1H-pyrazol-4-ylmethyl)propanamide
CID 60735981
2,2-difluoro-N-(1H-pyrazol-4-ylmethyl)acetamide
CID 103514032
2-amino-N-[(3-aminophenyl)methyl]-3-phenylpropanamide
CID 110483800
4-amino-4-phenyl-N-(1H-pyrazol-4-ylmethyl)butanamide
CID 55205488
3-methyl-2-phenyl-N-(1H-pyrazol-4-ylmethyl)pentanamide
CID 60999920
2-amino-N-[(2-chlorophenyl)methyl]-3-phenylpropanamide
CID 24706399

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-phenyl-N-(1H-pyrazol-4-ylmethyl)propanamide?
The IUPAC name of (2S)-2-amino-3-phenyl-N-(1H-pyrazol-4-ylmethyl)propanamide (CID 93428558) is (2S)-2-amino-3-phenyl-N-(1H-pyrazol-4-ylmethyl)propanamide.
What is the SMILES notation for (2S)-2-amino-3-phenyl-N-(1H-pyrazol-4-ylmethyl)propanamide?
The canonical SMILES for (2S)-2-amino-3-phenyl-N-(1H-pyrazol-4-ylmethyl)propanamide is N[C@@H](Cc1ccccc1)C(=O)NCc1cn[nH]c1.
What is the InChIKey of (2S)-2-amino-3-phenyl-N-(1H-pyrazol-4-ylmethyl)propanamide?
The InChIKey is RCJDBXZBLIXLBP-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H16N4O/c14-12(6-10-4-2-1-3-5-10)13(18)15-7-11-8-16-17-9-11/h1-5,8-9,12H,6-7,14H2,(H,15,18)(H,16,17)/t12-/m0/s1.
What are the key properties of (2S)-2-amino-3-phenyl-N-(1H-pyrazol-4-ylmethyl)propanamide?
(2S)-2-amino-3-phenyl-N-(1H-pyrazol-4-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 (2S)-2-amino-3-phenyl-N-(1H-pyrazol-4-ylmethyl)propanamide is sourced from PubChem (CID 93428558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).