5-[[1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]amino]pentanoic acid

C15H15Cl2N3O3 — CID 119234355

IUPAC5-[[1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]amino]pentanoic acid
SMILESO=C(O)CCCCNC(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C15H15Cl2N3O3/c16-11-4-5-13(12(17)7-11)20-9-10(8-19-20)15(23)18-6-2-1-3-14(21)22/h4-5,7-9H,1-3,6H2,(H,18,23)(H,21,22)
InChIKeyGNGJWOOUNOAORS-UHFFFAOYSA-N
MW356.21 g/mol
LogP3.16
Rot. Bonds7

About 5-[[1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]amino]pentanoic acid

5-[[1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]amino]pentanoic acid (PubChem CID 119234355) has the molecular formula C15H15Cl2N3O3 and a molecular weight of 356.21 g/mol. Its IUPAC name is 5-[[1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]amino]pentanoic acid.

Molecular Properties

Compound Name5-[[1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]amino]pentanoic acid
PubChem CID119234355
Molecular FormulaC15H15Cl2N3O3
Molecular Weight356.21 g/mol
Exact Mass355.05
IUPAC Name5-[[1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]amino]pentanoic acid
SMILESO=C(O)CCCCNC(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C15H15Cl2N3O3/c16-11-4-5-13(12(17)7-11)20-9-10(8-19-20)15(23)18-6-2-1-3-14(21)22/h4-5,7-9H,1-3,6H2,(H,18,23)(H,21,22)
InChIKeyGNGJWOOUNOAORS-UHFFFAOYSA-N
XLogP3.16
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.21
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-[[1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]amino]pentanoic 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

1-(2,4-dichlorophenyl)-N-[3-(ethylamino)propyl]pyrazole-4-carboxamide
CID 167952862
N-(2-amino-2-methylpropyl)-1-(2,4-dichlorophenyl)pyrazole-4-carboxamide
CID 119630624
1-(2,4-dichlorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]pyrazole-4-carboxamide;hydrochloride
CID 120947316
1-(2,4-dichlorophenyl)-N-(2-piperidin-3-ylethyl)pyrazole-4-carboxamide;hydrochloride
CID 119559418
1-(2,4-dichlorophenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119514691
2-[[1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]amino]-2-phenylacetic acid
CID 154863010
7-[(1-benzylpyrazole-4-carbonyl)amino]heptanoic acid
CID 71943614
N-(1-amino-2,3-dimethylbutan-2-yl)-1-(2,4-dichlorophenyl)pyrazole-4-carboxamide;hydrochloride
CID 119608974
1-(2,4-dichlorophenyl)-N-pyridin-2-ylpyrazole-4-carboxamide
CID 68934305
1-(2,4-dichlorophenyl)-N-(2-hydroxyethyl)-N-methylpyrazole-4-carboxamide
CID 110903813
N-(2-amino-2-oxoethyl)-1-(2,4-dichlorophenyl)-N-methylpyrazole-4-carboxamide
CID 56819330
1-(2-chlorophenyl)-N-[3-(2-hydroxyethoxy)propyl]pyrazole-4-carboxamide
CID 110022361

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]amino]pentanoic acid?
The IUPAC name of 5-[[1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]amino]pentanoic acid (CID 119234355) is 5-[[1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]amino]pentanoic acid.
What is the SMILES notation for 5-[[1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]amino]pentanoic acid?
The canonical SMILES for 5-[[1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]amino]pentanoic acid is O=C(O)CCCCNC(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 5-[[1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]amino]pentanoic acid?
The InChIKey is GNGJWOOUNOAORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3O3/c16-11-4-5-13(12(17)7-11)20-9-10(8-19-20)15(23)18-6-2-1-3-14(21)22/h4-5,7-9H,1-3,6H2,(H,18,23)(H,21,22).
What are the key properties of 5-[[1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]amino]pentanoic acid?
5-[[1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]amino]pentanoic acid has a molecular weight of 356.21 g/mol, XLogP of 3.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]amino]pentanoic acid is sourced from PubChem (CID 119234355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).