3-[(5-methyl-1H-pyrazole-3-carbonyl)amino]-3-phenylpropanoic acid

C14H15N3O3 — CID 61032689

IUPAC3-[(5-methyl-1H-pyrazole-3-carbonyl)amino]-3-phenylpropanoic acid
SMILESCc1cc(C(=O)NC(CC(=O)O)c2ccccc2)n[nH]1
InChIInChI=1S/C14H15N3O3/c1-9-7-12(17-16-9)14(20)15-11(8-13(18)19)10-5-3-2-4-6-10/h2-7,11H,8H2,1H3,(H,15,20)(H,16,17)(H,18,19)
InChIKeyXCDCHRLLDKDWPD-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.66
Rot. Bonds5

About 3-[(5-methyl-1H-pyrazole-3-carbonyl)amino]-3-phenylpropanoic acid

3-[(5-methyl-1H-pyrazole-3-carbonyl)amino]-3-phenylpropanoic acid (PubChem CID 61032689) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 3-[(5-methyl-1H-pyrazole-3-carbonyl)amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name3-[(5-methyl-1H-pyrazole-3-carbonyl)amino]-3-phenylpropanoic acid
PubChem CID61032689
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name3-[(5-methyl-1H-pyrazole-3-carbonyl)amino]-3-phenylpropanoic acid
SMILESCc1cc(C(=O)NC(CC(=O)O)c2ccccc2)n[nH]1
InChIInChI=1S/C14H15N3O3/c1-9-7-12(17-16-9)14(20)15-11(8-13(18)19)10-5-3-2-4-6-10/h2-7,11H,8H2,1H3,(H,15,20)(H,16,17)(H,18,19)
InChIKeyXCDCHRLLDKDWPD-UHFFFAOYSA-N
XLogP1.66
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-N-[(1R)-1-phenylethyl]-1H-pyrazole-3-carboxamide
CID 167867029
propan-2-yl 3-[[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]amino]-3-phenylpropanoate
CID 55746406
4-[(5-methyl-1H-pyrazole-3-carbonyl)amino]-5-phenylpentanoic acid
CID 120547288
3-(4-bromophenyl)-3-[(5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]propanoic acid
CID 119188731
3-(4-fluorophenyl)-3-[[5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carbonyl]amino]propanoic acid
CID 72844694
5-methyl-N-(1-naphthalen-2-ylethyl)-1H-pyrazole-3-carboxamide
CID 60520737
3-benzamido-3-phenylpropanoic acid
CID 2834576
(3S)-3-benzamido-3-phenylpropanoic acid
CID 788098
(2R)-3-methyl-2-[(5-methyl-1H-pyrazole-3-carbonyl)amino]butanoic acid
CID 79011182
N-[(1S)-1-(4-hydroxyphenyl)propyl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide
CID 95218567
5-methyl-N-(2-phenylpropan-2-yl)-1H-pyrazole-3-carboxamide
CID 47445811
3-[(3-fluoro-4-methylbenzoyl)amino]-3-phenylpropanoic acid
CID 16777891

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-1H-pyrazole-3-carbonyl)amino]-3-phenylpropanoic acid?
The IUPAC name of 3-[(5-methyl-1H-pyrazole-3-carbonyl)amino]-3-phenylpropanoic acid (CID 61032689) is 3-[(5-methyl-1H-pyrazole-3-carbonyl)amino]-3-phenylpropanoic acid.
What is the SMILES notation for 3-[(5-methyl-1H-pyrazole-3-carbonyl)amino]-3-phenylpropanoic acid?
The canonical SMILES for 3-[(5-methyl-1H-pyrazole-3-carbonyl)amino]-3-phenylpropanoic acid is Cc1cc(C(=O)NC(CC(=O)O)c2ccccc2)n[nH]1.
What is the InChIKey of 3-[(5-methyl-1H-pyrazole-3-carbonyl)amino]-3-phenylpropanoic acid?
The InChIKey is XCDCHRLLDKDWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-9-7-12(17-16-9)14(20)15-11(8-13(18)19)10-5-3-2-4-6-10/h2-7,11H,8H2,1H3,(H,15,20)(H,16,17)(H,18,19).
What are the key properties of 3-[(5-methyl-1H-pyrazole-3-carbonyl)amino]-3-phenylpropanoic acid?
3-[(5-methyl-1H-pyrazole-3-carbonyl)amino]-3-phenylpropanoic acid has a molecular weight of 273.29 g/mol, XLogP of 1.66, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-1H-pyrazole-3-carbonyl)amino]-3-phenylpropanoic acid is sourced from PubChem (CID 61032689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).