(2R)-2-[(1-phenylpyrazole-3-carbonyl)amino]pentanoic acid

C15H17N3O3 — CID 107562752

IUPAC(2R)-2-[(1-phenylpyrazole-3-carbonyl)amino]pentanoic acid
SMILESCCC[C@@H](NC(=O)c1ccn(-c2ccccc2)n1)C(=O)O
InChIInChI=1S/C15H17N3O3/c1-2-6-13(15(20)21)16-14(19)12-9-10-18(17-12)11-7-4-3-5-8-11/h3-5,7-10,13H,2,6H2,1H3,(H,16,19)(H,20,21)/t13-/m1/s1
InChIKeyMUZOKVXVAJHFJE-CYBMUJFWSA-N
MW287.32 g/mol
LogP1.86
Rot. Bonds6

About (2R)-2-[(1-phenylpyrazole-3-carbonyl)amino]pentanoic acid

(2R)-2-[(1-phenylpyrazole-3-carbonyl)amino]pentanoic acid (PubChem CID 107562752) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is (2R)-2-[(1-phenylpyrazole-3-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-2-[(1-phenylpyrazole-3-carbonyl)amino]pentanoic acid
PubChem CID107562752
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name(2R)-2-[(1-phenylpyrazole-3-carbonyl)amino]pentanoic acid
SMILESCCC[C@@H](NC(=O)c1ccn(-c2ccccc2)n1)C(=O)O
InChIInChI=1S/C15H17N3O3/c1-2-6-13(15(20)21)16-14(19)12-9-10-18(17-12)11-7-4-3-5-8-11/h3-5,7-10,13H,2,6H2,1H3,(H,16,19)(H,20,21)/t13-/m1/s1
InChIKeyMUZOKVXVAJHFJE-CYBMUJFWSA-N
XLogP1.86
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 ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-2-[(1-phenylpyrazole-3-carbonyl)amino]butanoic acid
CID 120702722
(2S)-4-methyl-2-[(1-phenylpyrazole-3-carbonyl)amino]pentanoic acid
CID 119362167
3-methyl-2-[(1-phenylpyrazole-3-carbonyl)amino]pentanoic acid
CID 119211592
N-[(2S)-1-ethylsulfonylpropan-2-yl]-1-phenylpyrazole-3-carboxamide
CID 95322595
N-(1-hydroxybutan-2-yl)-1-phenylpyrazole-3-carboxamide
CID 43428002
2-[[1-(4-methoxyphenyl)pyrazole-3-carbonyl]amino]butanoic acid
CID 119223991
3-methyl-1-(1-phenylpyrazol-3-yl)hexan-1-one
CID 105091340
(2R)-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]pentanoic acid
CID 107562869
2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]pentanoic acid
CID 43630891
methyl (2S)-2-[(1-phenylpyrazole-3-carbonyl)amino]propanoate
CID 87040358
4-methoxy-2-[[1-(3-nitrophenyl)pyrazole-3-carbonyl]amino]butanoic acid
CID 120703063
2-(imidazo[1,2-a]pyridine-2-carbonylamino)pentanoic acid
CID 43630934

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1-phenylpyrazole-3-carbonyl)amino]pentanoic acid?
The IUPAC name of (2R)-2-[(1-phenylpyrazole-3-carbonyl)amino]pentanoic acid (CID 107562752) is (2R)-2-[(1-phenylpyrazole-3-carbonyl)amino]pentanoic acid.
What is the SMILES notation for (2R)-2-[(1-phenylpyrazole-3-carbonyl)amino]pentanoic acid?
The canonical SMILES for (2R)-2-[(1-phenylpyrazole-3-carbonyl)amino]pentanoic acid is CCC[C@@H](NC(=O)c1ccn(-c2ccccc2)n1)C(=O)O.
What is the InChIKey of (2R)-2-[(1-phenylpyrazole-3-carbonyl)amino]pentanoic acid?
The InChIKey is MUZOKVXVAJHFJE-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-2-6-13(15(20)21)16-14(19)12-9-10-18(17-12)11-7-4-3-5-8-11/h3-5,7-10,13H,2,6H2,1H3,(H,16,19)(H,20,21)/t13-/m1/s1.
What are the key properties of (2R)-2-[(1-phenylpyrazole-3-carbonyl)amino]pentanoic acid?
(2R)-2-[(1-phenylpyrazole-3-carbonyl)amino]pentanoic acid has a molecular weight of 287.32 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1-phenylpyrazole-3-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 107562752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).