5-[[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]amino]-5-oxopentanoic acid

C15H16ClN3O3 — CID 2813984

IUPAC5-[[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]amino]-5-oxopentanoic acid
SMILESCn1nc(-c2ccc(Cl)cc2)cc1NC(=O)CCCC(=O)O
InChIInChI=1S/C15H16ClN3O3/c1-19-13(17-14(20)3-2-4-15(21)22)9-12(18-19)10-5-7-11(16)8-6-10/h5-9H,2-4H2,1H3,(H,17,20)(H,21,22)
InChIKeyVZHRYXBYVOCNCH-UHFFFAOYSA-N
MW321.76 g/mol
LogP2.93
Rot. Bonds6

About 5-[[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]amino]-5-oxopentanoic acid

5-[[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]amino]-5-oxopentanoic acid (PubChem CID 2813984) has the molecular formula C15H16ClN3O3 and a molecular weight of 321.76 g/mol. Its IUPAC name is 5-[[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]amino]-5-oxopentanoic acid
PubChem CID2813984
Molecular FormulaC15H16ClN3O3
Molecular Weight321.76 g/mol
Exact Mass321.09
IUPAC Name5-[[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]amino]-5-oxopentanoic acid
SMILESCn1nc(-c2ccc(Cl)cc2)cc1NC(=O)CCCC(=O)O
InChIInChI=1S/C15H16ClN3O3/c1-19-13(17-14(20)3-2-4-15(21)22)9-12(18-19)10-5-7-11(16)8-6-10/h5-9H,2-4H2,1H3,(H,17,20)(H,21,22)
InChIKeyVZHRYXBYVOCNCH-UHFFFAOYSA-N
XLogP2.93
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.76
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]amino]-5-oxopentanoic 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

3,3-dimethyl-5-[(1-methyl-1H-indazol-3-yl)amino]-5-oxopentanoic acid
CID 2809794
5-[(3-cyclopropyl-1-methyl-1H-pyrazol-5-yl)amino]-5-oxo-3-phenylpentanoic acid
CID 2812804
5-[(1-methyl-3-phenyl-1H-pyrazol-5-yl)amino]-5-oxopentanoic acid
CID 2815262
2-(4-chlorophenyl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-5(4H)-one
CID 135515082
N-[2-[(3-chlorophenyl)methyl]-5-phenylpyrazol-3-yl]acetamide
CID 684780
2-[(2-{[3-(4-chlorophenyl)-1-methyl-1H-pyrazol-5-yl]amino}-2-oxoethyl)sulfanyl]acetic acid
CID 2813981
5-{[3-(4-chlorophenyl)-1-methyl-1H-pyrazol-5-yl]amino}-3,3-dimethyl-5-oxopentanoic acid
CID 2813983
N-[1-(4-chlorobenzyl)-3-phenyl-1H-pyrazol-5-yl]acetamide
CID 2267427
4-chloro-N-(1-methyl-3-phenyl-1H-pyrazol-5-yl)benzamide
CID 24983126
3-(4-chlorophenyl)-N-(1,3-dimethyl-1H-pyrazol-5-yl)propanamide
CID 35532133
N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-3-oxododecanamide
CID 56676354
N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-5-piperidin-1-ylpentanamide
CID 57523354

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]amino]-5-oxopentanoic acid?
The IUPAC name of 5-[[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]amino]-5-oxopentanoic acid (CID 2813984) is 5-[[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]amino]-5-oxopentanoic acid?
The canonical SMILES for 5-[[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]amino]-5-oxopentanoic acid is Cn1nc(-c2ccc(Cl)cc2)cc1NC(=O)CCCC(=O)O.
What is the InChIKey of 5-[[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]amino]-5-oxopentanoic acid?
The InChIKey is VZHRYXBYVOCNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O3/c1-19-13(17-14(20)3-2-4-15(21)22)9-12(18-19)10-5-7-11(16)8-6-10/h5-9H,2-4H2,1H3,(H,17,20)(H,21,22).
What are the key properties of 5-[[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]amino]-5-oxopentanoic acid?
5-[[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]amino]-5-oxopentanoic acid has a molecular weight of 321.76 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 2813984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).