1-[2-oxo-2-[[(1S)-1-phenylpropyl]amino]ethyl]pyrazole-3-carboxylic acid

C15H17N3O3 — CID 29089973

IUPAC1-[2-oxo-2-[[(1S)-1-phenylpropyl]amino]ethyl]pyrazole-3-carboxylic acid
SMILESCC[C@H](NC(=O)Cn1ccc(C(=O)O)n1)c1ccccc1
InChIInChI=1S/C15H17N3O3/c1-2-12(11-6-4-3-5-7-11)16-14(19)10-18-9-8-13(17-18)15(20)21/h3-9,12H,2,10H2,1H3,(H,16,19)(H,20,21)/t12-/m0/s1
InChIKeyBAAMNFQSZHDQLR-LBPRGKRZSA-N
MW287.32 g/mol
LogP1.85
Rot. Bonds6

About 1-[2-oxo-2-[[(1S)-1-phenylpropyl]amino]ethyl]pyrazole-3-carboxylic acid

1-[2-oxo-2-[[(1S)-1-phenylpropyl]amino]ethyl]pyrazole-3-carboxylic acid (PubChem CID 29089973) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 1-[2-oxo-2-[[(1S)-1-phenylpropyl]amino]ethyl]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-oxo-2-[[(1S)-1-phenylpropyl]amino]ethyl]pyrazole-3-carboxylic acid
PubChem CID29089973
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name1-[2-oxo-2-[[(1S)-1-phenylpropyl]amino]ethyl]pyrazole-3-carboxylic acid
SMILESCC[C@H](NC(=O)Cn1ccc(C(=O)O)n1)c1ccccc1
InChIInChI=1S/C15H17N3O3/c1-2-12(11-6-4-3-5-7-11)16-14(19)10-18-9-8-13(17-18)15(20)21/h3-9,12H,2,10H2,1H3,(H,16,19)(H,20,21)/t12-/m0/s1
InChIKeyBAAMNFQSZHDQLR-LBPRGKRZSA-N
XLogP1.85
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(butan-2-ylamino)-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19624158
1-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazole-3-carboxylic acid
CID 19624153
N-[1-(4-methylphenyl)propyl]-2-(3-methylpyrazol-1-yl)acetamide
CID 19516870
6-(1-phenylpropylcarbamoyl)pyridine-2-carboxylic acid
CID 62304057
N-(1-phenylpropyl)-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide
CID 19264560
1-[2-[1-(dipentylamino)propan-2-ylamino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19502162
1-[2-oxo-2-[1-(4-pyrrol-1-ylphenyl)ethylamino]ethyl]pyrazole-3-carboxylic acid
CID 19502242
1-[2-oxo-2-[1-(4-propylphenyl)ethylamino]ethyl]pyrazole-3-carboxylic acid
CID 19502144
1-(phenoxymethyl)-N-(1-phenylpropyl)pyrazole-3-carboxamide
CID 19271107
2-[3-[1-(4-propan-2-ylphenyl)propylcarbamoyl]pyrazol-1-yl]acetic acid
CID 19500181
1-[2-(2,6-dimethylanilino)-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19502091
1-[2-[1-(4-methoxyphenyl)ethylamino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19624233

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-[[(1S)-1-phenylpropyl]amino]ethyl]pyrazole-3-carboxylic acid?
The IUPAC name of 1-[2-oxo-2-[[(1S)-1-phenylpropyl]amino]ethyl]pyrazole-3-carboxylic acid (CID 29089973) is 1-[2-oxo-2-[[(1S)-1-phenylpropyl]amino]ethyl]pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-[2-oxo-2-[[(1S)-1-phenylpropyl]amino]ethyl]pyrazole-3-carboxylic acid?
The canonical SMILES for 1-[2-oxo-2-[[(1S)-1-phenylpropyl]amino]ethyl]pyrazole-3-carboxylic acid is CC[C@H](NC(=O)Cn1ccc(C(=O)O)n1)c1ccccc1.
What is the InChIKey of 1-[2-oxo-2-[[(1S)-1-phenylpropyl]amino]ethyl]pyrazole-3-carboxylic acid?
The InChIKey is BAAMNFQSZHDQLR-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-2-12(11-6-4-3-5-7-11)16-14(19)10-18-9-8-13(17-18)15(20)21/h3-9,12H,2,10H2,1H3,(H,16,19)(H,20,21)/t12-/m0/s1.
What are the key properties of 1-[2-oxo-2-[[(1S)-1-phenylpropyl]amino]ethyl]pyrazole-3-carboxylic acid?
1-[2-oxo-2-[[(1S)-1-phenylpropyl]amino]ethyl]pyrazole-3-carboxylic acid has a molecular weight of 287.32 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-[[(1S)-1-phenylpropyl]amino]ethyl]pyrazole-3-carboxylic acid is sourced from PubChem (CID 29089973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).