2-[[3-(2-chlorophenyl)-1H-pyrazole-5-carbonyl]amino]-3-methylpentanoic acid

C16H18ClN3O3 — CID 119211443

IUPAC2-[[3-(2-chlorophenyl)-1H-pyrazole-5-carbonyl]amino]-3-methylpentanoic acid
SMILESCCC(C)C(NC(=O)c1cc(-c2ccccc2Cl)n[nH]1)C(=O)O
InChIInChI=1S/C16H18ClN3O3/c1-3-9(2)14(16(22)23)18-15(21)13-8-12(19-20-13)10-6-4-5-7-11(10)17/h4-9,14H,3H2,1-2H3,(H,18,21)(H,19,20)(H,22,23)
InChIKeyUHNQAWOSZOFCHE-UHFFFAOYSA-N
MW335.79 g/mol
LogP2.96
Rot. Bonds6

About 2-[[3-(2-chlorophenyl)-1H-pyrazole-5-carbonyl]amino]-3-methylpentanoic acid

2-[[3-(2-chlorophenyl)-1H-pyrazole-5-carbonyl]amino]-3-methylpentanoic acid (PubChem CID 119211443) has the molecular formula C16H18ClN3O3 and a molecular weight of 335.79 g/mol. Its IUPAC name is 2-[[3-(2-chlorophenyl)-1H-pyrazole-5-carbonyl]amino]-3-methylpentanoic acid.

Molecular Properties

Compound Name2-[[3-(2-chlorophenyl)-1H-pyrazole-5-carbonyl]amino]-3-methylpentanoic acid
PubChem CID119211443
Molecular FormulaC16H18ClN3O3
Molecular Weight335.79 g/mol
Exact Mass335.10
IUPAC Name2-[[3-(2-chlorophenyl)-1H-pyrazole-5-carbonyl]amino]-3-methylpentanoic acid
SMILESCCC(C)C(NC(=O)c1cc(-c2ccccc2Cl)n[nH]1)C(=O)O
InChIInChI=1S/C16H18ClN3O3/c1-3-9(2)14(16(22)23)18-15(21)13-8-12(19-20-13)10-6-4-5-7-11(10)17/h4-9,14H,3H2,1-2H3,(H,18,21)(H,19,20)(H,22,23)
InChIKeyUHNQAWOSZOFCHE-UHFFFAOYSA-N
XLogP2.96
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.79
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-3-methyl-1-oxopentan-2-yl)-3-(2-chlorophenyl)-1H-pyrazole-5-carboxamide
CID 78861611
(2S,3S)-3-methyl-2-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]pentanoic acid
CID 119194391
3-(2-chlorophenyl)-N-(1-hydroxypropan-2-yl)-1H-pyrazole-5-carboxamide
CID 78860717
3-(2-chlorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrazole-5-carboxamide
CID 110001692
3-(2-chlorophenyl)-N-[1-(furan-2-yl)propan-2-yl]-1H-pyrazole-5-carboxamide
CID 47027176
(2S)-2-[[2-(2-chlorophenoxy)acetyl]amino]-3-methylpentanoic acid
CID 61173622
(2S,3R)-3-hydroxy-2-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]butanoic acid
CID 104964742
N-butan-2-yl-3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide
CID 19510030
N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 110205416
(2R,3S)-3-methyl-2-(pyridine-2-carbonylamino)pentanoic acid
CID 30054092
(2R,3R)-3-methyl-2-(pyridine-2-carbonylamino)pentanoic acid
CID 30054086
(2S,3S)-2-[2-(2-chlorophenoxy)propanoylamino]-3-methylpentanoic acid
CID 61137417

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2-chlorophenyl)-1H-pyrazole-5-carbonyl]amino]-3-methylpentanoic acid?
The IUPAC name of 2-[[3-(2-chlorophenyl)-1H-pyrazole-5-carbonyl]amino]-3-methylpentanoic acid (CID 119211443) is 2-[[3-(2-chlorophenyl)-1H-pyrazole-5-carbonyl]amino]-3-methylpentanoic acid.
What is the SMILES notation for 2-[[3-(2-chlorophenyl)-1H-pyrazole-5-carbonyl]amino]-3-methylpentanoic acid?
The canonical SMILES for 2-[[3-(2-chlorophenyl)-1H-pyrazole-5-carbonyl]amino]-3-methylpentanoic acid is CCC(C)C(NC(=O)c1cc(-c2ccccc2Cl)n[nH]1)C(=O)O.
What is the InChIKey of 2-[[3-(2-chlorophenyl)-1H-pyrazole-5-carbonyl]amino]-3-methylpentanoic acid?
The InChIKey is UHNQAWOSZOFCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O3/c1-3-9(2)14(16(22)23)18-15(21)13-8-12(19-20-13)10-6-4-5-7-11(10)17/h4-9,14H,3H2,1-2H3,(H,18,21)(H,19,20)(H,22,23).
What are the key properties of 2-[[3-(2-chlorophenyl)-1H-pyrazole-5-carbonyl]amino]-3-methylpentanoic acid?
2-[[3-(2-chlorophenyl)-1H-pyrazole-5-carbonyl]amino]-3-methylpentanoic acid has a molecular weight of 335.79 g/mol, XLogP of 2.96, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-chlorophenyl)-1H-pyrazole-5-carbonyl]amino]-3-methylpentanoic acid is sourced from PubChem (CID 119211443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).