(2S,3S)-3-methyl-2-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]pentanoic acid

C16H19N3O3 — CID 119194391

IUPAC(2S,3S)-3-methyl-2-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]pentanoic acid
SMILESCC[C@H](C)[C@H](NC(=O)c1cc(-c2ccccc2)n[nH]1)C(=O)O
InChIInChI=1S/C16H19N3O3/c1-3-10(2)14(16(21)22)17-15(20)13-9-12(18-19-13)11-7-5-4-6-8-11/h4-10,14H,3H2,1-2H3,(H,17,20)(H,18,19)(H,21,22)/t10-,14-/m0/s1
InChIKeyBIHTUWUTKPHANK-HZMBPMFUSA-N
MW301.35 g/mol
LogP2.31
Rot. Bonds6

About (2S,3S)-3-methyl-2-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]pentanoic acid

(2S,3S)-3-methyl-2-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]pentanoic acid (PubChem CID 119194391) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is (2S,3S)-3-methyl-2-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2S,3S)-3-methyl-2-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]pentanoic acid
PubChem CID119194391
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name(2S,3S)-3-methyl-2-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]pentanoic acid
SMILESCC[C@H](C)[C@H](NC(=O)c1cc(-c2ccccc2)n[nH]1)C(=O)O
InChIInChI=1S/C16H19N3O3/c1-3-10(2)14(16(21)22)17-15(20)13-9-12(18-19-13)11-7-5-4-6-8-11/h4-10,14H,3H2,1-2H3,(H,17,20)(H,18,19)(H,21,22)/t10-,14-/m0/s1
InChIKeyBIHTUWUTKPHANK-HZMBPMFUSA-N
XLogP2.31
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S,3S)-3-methyl-2-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]pentanoic acid with MolForge

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Related Compounds

2-[[3-(2-chlorophenyl)-1H-pyrazole-5-carbonyl]amino]-3-methylpentanoic acid
CID 119211443
(2S,3R)-3-hydroxy-2-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]butanoic acid
CID 104964742
N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 110205416
N-(1-hydroxybutan-2-yl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 43418024
3-methyl-2-[[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]amino]butanoic acid
CID 119170236
[2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 3-phenyl-1H-pyrazole-5-carboxylate
CID 18092590
(2R)-2-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-3-methylbutanoic acid
CID 119369536
N-(1-amino-3-methyl-1-oxopentan-2-yl)-3-(2-chlorophenyl)-1H-pyrazole-5-carboxamide
CID 78861611
N-(2-ethylbutyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 115612805
3-phenyl-N'-propanoyl-1H-pyrazole-5-carbohydrazide
CID 2677236
methyl (3S)-3-phenyl-3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propanoate
CID 25358277
bis(3-phenyl-1H-pyrazol-5-yl)methanone
CID 174669259

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-methyl-2-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]pentanoic acid?
The IUPAC name of (2S,3S)-3-methyl-2-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]pentanoic acid (CID 119194391) is (2S,3S)-3-methyl-2-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]pentanoic acid.
What is the SMILES notation for (2S,3S)-3-methyl-2-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]pentanoic acid?
The canonical SMILES for (2S,3S)-3-methyl-2-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]pentanoic acid is CC[C@H](C)[C@H](NC(=O)c1cc(-c2ccccc2)n[nH]1)C(=O)O.
What is the InChIKey of (2S,3S)-3-methyl-2-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]pentanoic acid?
The InChIKey is BIHTUWUTKPHANK-HZMBPMFUSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-3-10(2)14(16(21)22)17-15(20)13-9-12(18-19-13)11-7-5-4-6-8-11/h4-10,14H,3H2,1-2H3,(H,17,20)(H,18,19)(H,21,22)/t10-,14-/m0/s1.
What are the key properties of (2S,3S)-3-methyl-2-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]pentanoic acid?
(2S,3S)-3-methyl-2-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]pentanoic acid has a molecular weight of 301.35 g/mol, XLogP of 2.31, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-methyl-2-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 119194391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).