2-[[1-(3-chlorophenyl)pyrazole-4-carbonyl]-methylamino]-2-methylpropanoic acid

C15H16ClN3O3 — CID 119200852

IUPAC2-[[1-(3-chlorophenyl)pyrazole-4-carbonyl]-methylamino]-2-methylpropanoic acid
SMILESCN(C(=O)c1cnn(-c2cccc(Cl)c2)c1)C(C)(C)C(=O)O
InChIInChI=1S/C15H16ClN3O3/c1-15(2,14(21)22)18(3)13(20)10-8-17-19(9-10)12-6-4-5-11(16)7-12/h4-9H,1-3H3,(H,21,22)
InChIKeyNCCJCGCSQSDYSP-UHFFFAOYSA-N
MW321.76 g/mol
LogP2.46
Rot. Bonds4

About 2-[[1-(3-chlorophenyl)pyrazole-4-carbonyl]-methylamino]-2-methylpropanoic acid

2-[[1-(3-chlorophenyl)pyrazole-4-carbonyl]-methylamino]-2-methylpropanoic acid (PubChem CID 119200852) has the molecular formula C15H16ClN3O3 and a molecular weight of 321.76 g/mol. Its IUPAC name is 2-[[1-(3-chlorophenyl)pyrazole-4-carbonyl]-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[1-(3-chlorophenyl)pyrazole-4-carbonyl]-methylamino]-2-methylpropanoic acid
PubChem CID119200852
Molecular FormulaC15H16ClN3O3
Molecular Weight321.76 g/mol
Exact Mass321.09
IUPAC Name2-[[1-(3-chlorophenyl)pyrazole-4-carbonyl]-methylamino]-2-methylpropanoic acid
SMILESCN(C(=O)c1cnn(-c2cccc(Cl)c2)c1)C(C)(C)C(=O)O
InChIInChI=1S/C15H16ClN3O3/c1-15(2,14(21)22)18(3)13(20)10-8-17-19(9-10)12-6-4-5-11(16)7-12/h4-9H,1-3H3,(H,21,22)
InChIKeyNCCJCGCSQSDYSP-UHFFFAOYSA-N
XLogP2.46
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 ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[1-(3-chlorophenyl)pyrazole-4-carbonyl]-methylamino]-2-methylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[1-(3-chlorophenyl)pyrazole-4-carbonyl]amino]-4-methylpentanoic acid
CID 119204645
2-[[1-(3-chlorophenyl)pyrazole-4-carbonyl]-cyclopropylamino]acetic acid
CID 119195523
N,N-dimethyl-1-phenylpyrazole-4-carboxamide
CID 22103774
1-(3-chlorophenyl)-N-[(2,4-difluorophenyl)methyl]-N-methylpyrazole-4-carboxamide
CID 55871766
1-(3-chlorophenyl)-N,N-bis(thiophen-2-ylmethyl)pyrazole-4-carboxamide
CID 55875521
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-1-(3-chlorophenyl)-N-methylpyrazole-4-carboxamide
CID 55883929
3-(4-chloropyrazol-1-yl)benzoic acid
CID 63942478
2-[[1-(3-chlorophenyl)pyrazole-4-carbonyl]-(oxan-4-yl)amino]acetic acid
CID 122146306
2-methyl-2-[methyl-(1-propylpyrazole-4-carbonyl)amino]propanoic acid
CID 120518820
1-(3-chlorophenyl)-N-[(3S)-3-hydroxybutyl]pyrazole-4-carboxamide
CID 95980723
N-benzyl-1-(3-chlorophenyl)-N-(furan-2-ylmethyl)pyrazole-4-carboxamide
CID 55874837
N-[3-(aminomethyl)pentan-3-yl]-1-(3-chlorophenyl)pyrazole-4-carboxamide
CID 119571092

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(3-chlorophenyl)pyrazole-4-carbonyl]-methylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[[1-(3-chlorophenyl)pyrazole-4-carbonyl]-methylamino]-2-methylpropanoic acid (CID 119200852) is 2-[[1-(3-chlorophenyl)pyrazole-4-carbonyl]-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[1-(3-chlorophenyl)pyrazole-4-carbonyl]-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[[1-(3-chlorophenyl)pyrazole-4-carbonyl]-methylamino]-2-methylpropanoic acid is CN(C(=O)c1cnn(-c2cccc(Cl)c2)c1)C(C)(C)C(=O)O.
What is the InChIKey of 2-[[1-(3-chlorophenyl)pyrazole-4-carbonyl]-methylamino]-2-methylpropanoic acid?
The InChIKey is NCCJCGCSQSDYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O3/c1-15(2,14(21)22)18(3)13(20)10-8-17-19(9-10)12-6-4-5-11(16)7-12/h4-9H,1-3H3,(H,21,22).
What are the key properties of 2-[[1-(3-chlorophenyl)pyrazole-4-carbonyl]-methylamino]-2-methylpropanoic acid?
2-[[1-(3-chlorophenyl)pyrazole-4-carbonyl]-methylamino]-2-methylpropanoic acid has a molecular weight of 321.76 g/mol, XLogP of 2.46, 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)pyrazole-4-carbonyl]-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 119200852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).