2-[[1-(3-chlorophenyl)-5-methylpyrazole-4-carbonyl]-methylamino]propanoic acid

C15H16ClN3O3 — CID 119209354

IUPAC2-[[1-(3-chlorophenyl)-5-methylpyrazole-4-carbonyl]-methylamino]propanoic acid
SMILESCc1c(C(=O)N(C)C(C)C(=O)O)cnn1-c1cccc(Cl)c1
InChIInChI=1S/C15H16ClN3O3/c1-9-13(14(20)18(3)10(2)15(21)22)8-17-19(9)12-6-4-5-11(16)7-12/h4-8,10H,1-3H3,(H,21,22)
InChIKeyICGHKFSRWHQXGL-UHFFFAOYSA-N
MW321.76 g/mol
LogP2.38
Rot. Bonds4

About 2-[[1-(3-chlorophenyl)-5-methylpyrazole-4-carbonyl]-methylamino]propanoic acid

2-[[1-(3-chlorophenyl)-5-methylpyrazole-4-carbonyl]-methylamino]propanoic acid (PubChem CID 119209354) has the molecular formula C15H16ClN3O3 and a molecular weight of 321.76 g/mol. Its IUPAC name is 2-[[1-(3-chlorophenyl)-5-methylpyrazole-4-carbonyl]-methylamino]propanoic acid.

Molecular Properties

Compound Name2-[[1-(3-chlorophenyl)-5-methylpyrazole-4-carbonyl]-methylamino]propanoic acid
PubChem CID119209354
Molecular FormulaC15H16ClN3O3
Molecular Weight321.76 g/mol
Exact Mass321.09
IUPAC Name2-[[1-(3-chlorophenyl)-5-methylpyrazole-4-carbonyl]-methylamino]propanoic acid
SMILESCc1c(C(=O)N(C)C(C)C(=O)O)cnn1-c1cccc(Cl)c1
InChIInChI=1S/C15H16ClN3O3/c1-9-13(14(20)18(3)10(2)15(21)22)8-17-19(9)12-6-4-5-11(16)7-12/h4-8,10H,1-3H3,(H,21,22)
InChIKeyICGHKFSRWHQXGL-UHFFFAOYSA-N
XLogP2.38
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.76
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl-[5-methyl-1-(3-methylphenyl)pyrazole-4-carbonyl]amino]propanoic acid
CID 119208682
(2S)-2-[methyl-(5-methyl-1-phenylpyrazole-4-carbonyl)amino]propanoic acid
CID 99849354
1-(3-chlorophenyl)-N,5-dimethyl-N-(2-methylpropyl)pyrazole-4-carboxamide
CID 134059030
1-(3-chlorophenyl)-N,5-dimethyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyrazole-4-carboxamide
CID 42953600
1-(3-chlorophenyl)-N-(2-hydroxypropyl)-5-methylpyrazole-4-carboxamide
CID 78855753
2-[[1-(3-chlorophenyl)-5-methylpyrazole-4-carbonyl]amino]butanoic acid
CID 119223906
2-[[1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]-methylamino]propanoic acid
CID 119359343
1-[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]-2-ethylbutan-1-one
CID 134561020
1-(3-chlorophenyl)-N-(2-methoxyethyl)-5-methyl-N-(2-methylpropyl)pyrazole-4-carboxamide
CID 134062538
2-[[1-(3-bromophenyl)-5-methylpyrazole-4-carbonyl]-cyclopropylamino]propanoic acid
CID 119202302
1-(3-chlorophenyl)-N,N-dimethyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 42817677
N-(3-amino-2-methylpropyl)-1-(3-chlorophenyl)-5-methylpyrazole-4-carboxamide
CID 119997822

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(3-chlorophenyl)-5-methylpyrazole-4-carbonyl]-methylamino]propanoic acid?
The IUPAC name of 2-[[1-(3-chlorophenyl)-5-methylpyrazole-4-carbonyl]-methylamino]propanoic acid (CID 119209354) is 2-[[1-(3-chlorophenyl)-5-methylpyrazole-4-carbonyl]-methylamino]propanoic acid.
What is the SMILES notation for 2-[[1-(3-chlorophenyl)-5-methylpyrazole-4-carbonyl]-methylamino]propanoic acid?
The canonical SMILES for 2-[[1-(3-chlorophenyl)-5-methylpyrazole-4-carbonyl]-methylamino]propanoic acid is Cc1c(C(=O)N(C)C(C)C(=O)O)cnn1-c1cccc(Cl)c1.
What is the InChIKey of 2-[[1-(3-chlorophenyl)-5-methylpyrazole-4-carbonyl]-methylamino]propanoic acid?
The InChIKey is ICGHKFSRWHQXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O3/c1-9-13(14(20)18(3)10(2)15(21)22)8-17-19(9)12-6-4-5-11(16)7-12/h4-8,10H,1-3H3,(H,21,22).
What are the key properties of 2-[[1-(3-chlorophenyl)-5-methylpyrazole-4-carbonyl]-methylamino]propanoic acid?
2-[[1-(3-chlorophenyl)-5-methylpyrazole-4-carbonyl]-methylamino]propanoic acid has a molecular weight of 321.76 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(3-chlorophenyl)-5-methylpyrazole-4-carbonyl]-methylamino]propanoic acid is sourced from PubChem (CID 119209354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).