2-[(1-methylpyrazole-3-carbonyl)amino]-3-phenylpropanoic acid

C14H15N3O3 — CID 103116341

IUPAC2-[(1-methylpyrazole-3-carbonyl)amino]-3-phenylpropanoic acid
SMILESCn1ccc(C(=O)NC(Cc2ccccc2)C(=O)O)n1
InChIInChI=1S/C14H15N3O3/c1-17-8-7-11(16-17)13(18)15-12(14(19)20)9-10-5-3-2-4-6-10/h2-8,12H,9H2,1H3,(H,15,18)(H,19,20)
InChIKeyGGYNYHVWPARAPU-UHFFFAOYSA-N
MW273.29 g/mol
LogP0.85
Rot. Bonds5

About 2-[(1-methylpyrazole-3-carbonyl)amino]-3-phenylpropanoic acid

2-[(1-methylpyrazole-3-carbonyl)amino]-3-phenylpropanoic acid (PubChem CID 103116341) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 2-[(1-methylpyrazole-3-carbonyl)amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name2-[(1-methylpyrazole-3-carbonyl)amino]-3-phenylpropanoic acid
PubChem CID103116341
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name2-[(1-methylpyrazole-3-carbonyl)amino]-3-phenylpropanoic acid
SMILESCn1ccc(C(=O)NC(Cc2ccccc2)C(=O)O)n1
InChIInChI=1S/C14H15N3O3/c1-17-8-7-11(16-17)13(18)15-12(14(19)20)9-10-5-3-2-4-6-10/h2-8,12H,9H2,1H3,(H,15,18)(H,19,20)
InChIKeyGGYNYHVWPARAPU-UHFFFAOYSA-N
XLogP0.85
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-4-amino-2-[(1-methylpyrazole-3-carbonyl)amino]-4-oxobutanoic acid
CID 107821158
(2R)-2-[(1-methylpyrazol-3-yl)carbamoylamino]-3-phenylpropanoic acid
CID 104902353
(2S)-2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-3-phenylpropanoic acid
CID 119366410
(2S)-2-[(6-methylpyridine-2-carbonyl)amino]-3-phenylpropanoic acid
CID 30075662
2-amino-1-(1-methylpyrazol-3-yl)-3-phenylpropan-1-one
CID 103132973
(2S)-2-[(5-bromopyridine-2-carbonyl)amino]-3-phenylpropanoic acid
CID 62958073
N-(1,3-dihydroxypropan-2-yl)-1-methylpyrazole-3-carboxamide
CID 104580688
N-[(2R)-butan-2-yl]-1-methylpyrazole-3-carboxamide
CID 35763827
N-[(2S)-butan-2-yl]-1-methylpyrazole-3-carboxamide
CID 35763828
2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]-3-phenylpropanoic acid
CID 18072824
N-(1-chloropropan-2-yl)-1-methylpyrazole-3-carboxamide
CID 103122581
2-[(1-methylpyrazol-4-yl)carbamoylamino]-3-phenylpropanoic acid
CID 61199623

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpyrazole-3-carbonyl)amino]-3-phenylpropanoic acid?
The IUPAC name of 2-[(1-methylpyrazole-3-carbonyl)amino]-3-phenylpropanoic acid (CID 103116341) is 2-[(1-methylpyrazole-3-carbonyl)amino]-3-phenylpropanoic acid.
What is the SMILES notation for 2-[(1-methylpyrazole-3-carbonyl)amino]-3-phenylpropanoic acid?
The canonical SMILES for 2-[(1-methylpyrazole-3-carbonyl)amino]-3-phenylpropanoic acid is Cn1ccc(C(=O)NC(Cc2ccccc2)C(=O)O)n1.
What is the InChIKey of 2-[(1-methylpyrazole-3-carbonyl)amino]-3-phenylpropanoic acid?
The InChIKey is GGYNYHVWPARAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-17-8-7-11(16-17)13(18)15-12(14(19)20)9-10-5-3-2-4-6-10/h2-8,12H,9H2,1H3,(H,15,18)(H,19,20).
What are the key properties of 2-[(1-methylpyrazole-3-carbonyl)amino]-3-phenylpropanoic acid?
2-[(1-methylpyrazole-3-carbonyl)amino]-3-phenylpropanoic acid has a molecular weight of 273.29 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpyrazole-3-carbonyl)amino]-3-phenylpropanoic acid is sourced from PubChem (CID 103116341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).