2-[(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)amino]-3-methoxypropanoic acid

C19H23N3O4 — CID 122108945

IUPAC2-[(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)amino]-3-methoxypropanoic acid
SMILESCOCC(NC(=O)c1cnn(C2CCCC2)c1-c1ccccc1)C(=O)O
InChIInChI=1S/C19H23N3O4/c1-26-12-16(19(24)25)21-18(23)15-11-20-22(14-9-5-6-10-14)17(15)13-7-3-2-4-8-13/h2-4,7-8,11,14,16H,5-6,9-10,12H2,1H3,(H,21,23)(H,24,25)
InChIKeyCNHCRBYFZSYDOP-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.49
Rot. Bonds7

About 2-[(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)amino]-3-methoxypropanoic acid

2-[(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)amino]-3-methoxypropanoic acid (PubChem CID 122108945) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is 2-[(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)amino]-3-methoxypropanoic acid.

Molecular Properties

Compound Name2-[(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)amino]-3-methoxypropanoic acid
PubChem CID122108945
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name2-[(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)amino]-3-methoxypropanoic acid
SMILESCOCC(NC(=O)c1cnn(C2CCCC2)c1-c1ccccc1)C(=O)O
InChIInChI=1S/C19H23N3O4/c1-26-12-16(19(24)25)21-18(23)15-11-20-22(14-9-5-6-10-14)17(15)13-7-3-2-4-8-13/h2-4,7-8,11,14,16H,5-6,9-10,12H2,1H3,(H,21,23)(H,24,25)
InChIKeyCNHCRBYFZSYDOP-UHFFFAOYSA-N
XLogP2.49
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(E)-2-[(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)amino]hex-4-enoic acid
CID 122108687
2-[2-[(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)amino]ethoxy]acetic acid
CID 122108850
3-[(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)amino]propanoic acid
CID 122107208
3-[(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)-methylamino]-2-methylpropanoic acid
CID 122107757
(2S)-2-benzamido-3-methoxypropanoic acid
CID 54400188
1-(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)piperidine-4-carboxylic acid
CID 122106902
2-[(1-cyclopropylpyrrole-2-carbonyl)amino]-3-methoxypropanoic acid
CID 81076810
3-methoxy-2-(naphthalene-1-carbonylamino)propanoic acid
CID 70817249
2-[[2-(cyanomethylsulfanyl)benzoyl]amino]-3-methoxypropanoic acid
CID 81076404
1-cyclopentyl-5-methyl-N-(2-methylsulfonyl-1-phenylethyl)pyrazole-4-carboxamide
CID 126795413
5-cyclopropyl-N-(1-methoxypropan-2-yl)-1-phenylpyrazole-4-carboxamide
CID 42949053
2-[(3-bromo-2-methylbenzoyl)amino]-3-methoxypropanoic acid
CID 81077282

Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)amino]-3-methoxypropanoic acid?
The IUPAC name of 2-[(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)amino]-3-methoxypropanoic acid (CID 122108945) is 2-[(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)amino]-3-methoxypropanoic acid.
What is the SMILES notation for 2-[(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)amino]-3-methoxypropanoic acid?
The canonical SMILES for 2-[(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)amino]-3-methoxypropanoic acid is COCC(NC(=O)c1cnn(C2CCCC2)c1-c1ccccc1)C(=O)O.
What is the InChIKey of 2-[(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)amino]-3-methoxypropanoic acid?
The InChIKey is CNHCRBYFZSYDOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-26-12-16(19(24)25)21-18(23)15-11-20-22(14-9-5-6-10-14)17(15)13-7-3-2-4-8-13/h2-4,7-8,11,14,16H,5-6,9-10,12H2,1H3,(H,21,23)(H,24,25).
What are the key properties of 2-[(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)amino]-3-methoxypropanoic acid?
2-[(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)amino]-3-methoxypropanoic acid has a molecular weight of 357.41 g/mol, XLogP of 2.49, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)amino]-3-methoxypropanoic acid is sourced from PubChem (CID 122108945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).