N-[4-[[1-(2-chlorophenyl)pyrazol-4-yl]amino]-4-oxobutyl]cyclopropanecarboxamide

C17H19ClN4O2 — CID 56782466

IUPACN-[4-[[1-(2-chlorophenyl)pyrazol-4-yl]amino]-4-oxobutyl]cyclopropanecarboxamide
SMILESO=C(CCCNC(=O)C1CC1)Nc1cnn(-c2ccccc2Cl)c1
InChIInChI=1S/C17H19ClN4O2/c18-14-4-1-2-5-15(14)22-11-13(10-20-22)21-16(23)6-3-9-19-17(24)12-7-8-12/h1-2,4-5,10-12H,3,6-9H2,(H,19,24)(H,21,23)
InChIKeyRPZYZZWMMPLZKP-UHFFFAOYSA-N
MW346.82 g/mol
LogP2.77
Rot. Bonds7

About N-[4-[[1-(2-chlorophenyl)pyrazol-4-yl]amino]-4-oxobutyl]cyclopropanecarboxamide

N-[4-[[1-(2-chlorophenyl)pyrazol-4-yl]amino]-4-oxobutyl]cyclopropanecarboxamide (PubChem CID 56782466) has the molecular formula C17H19ClN4O2 and a molecular weight of 346.82 g/mol. Its IUPAC name is N-[4-[[1-(2-chlorophenyl)pyrazol-4-yl]amino]-4-oxobutyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[[1-(2-chlorophenyl)pyrazol-4-yl]amino]-4-oxobutyl]cyclopropanecarboxamide
PubChem CID56782466
Molecular FormulaC17H19ClN4O2
Molecular Weight346.82 g/mol
Exact Mass346.12
IUPAC NameN-[4-[[1-(2-chlorophenyl)pyrazol-4-yl]amino]-4-oxobutyl]cyclopropanecarboxamide
SMILESO=C(CCCNC(=O)C1CC1)Nc1cnn(-c2ccccc2Cl)c1
InChIInChI=1S/C17H19ClN4O2/c18-14-4-1-2-5-15(14)22-11-13(10-20-22)21-16(23)6-3-9-19-17(24)12-7-8-12/h1-2,4-5,10-12H,3,6-9H2,(H,19,24)(H,21,23)
InChIKeyRPZYZZWMMPLZKP-UHFFFAOYSA-N
XLogP2.77
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[4-[[1-(2-chlorophenyl)pyrazol-4-yl]amino]-4-oxobutyl]cyclopropanecarboxamide 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

N-(4-chlorophenyl)-N'-(1-ethylpyrazol-4-yl)oxamide
CID 57523322
1-(2-chlorophenyl)-1H-pyrazol-4-amine
CID 43531693
2-[(3-chloro-2-pyrazol-1-ylphenyl)carbamoylamino]-N-(2-methylpropyl)acetamide
CID 49279405
N-[1-(2-chlorophenyl)pyrazol-4-yl]-3-(methanesulfonamido)propanamide
CID 53606969
N-[1-(2-chlorophenyl)pyrazol-4-yl]-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide
CID 53608410
N-[1-(2-chlorophenyl)pyrazol-4-yl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 53611817
N-[1-(2-chlorophenyl)pyrazol-4-yl]-5-oxopyrrolidine-2-carboxamide
CID 53621441
N-[1-(2-chlorophenyl)pyrazol-4-yl]-3-(2-oxopyrrolidin-1-yl)propanamide
CID 56782238
N-[1-(2-chlorophenyl)pyrazol-4-yl]-4-(2-oxo-1,3-oxazolidin-3-yl)butanamide
CID 56782473
3-[(3-chloro-2-pyrazol-1-ylphenyl)carbamoylamino]-N,N-dimethylpropanamide
CID 56814570
1-[1-(2-Chlorophenyl)-2-oxopiperidin-3-yl]-3-(1-methylpyrazol-4-yl)urea
CID 71870393
1-[1-(2-Chlorophenyl)pyrazol-4-yl]-3-(1-methylpiperidin-4-yl)urea
CID 72000962

Frequently Asked Questions

What is the IUPAC name of N-[4-[[1-(2-chlorophenyl)pyrazol-4-yl]amino]-4-oxobutyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[[1-(2-chlorophenyl)pyrazol-4-yl]amino]-4-oxobutyl]cyclopropanecarboxamide (CID 56782466) is N-[4-[[1-(2-chlorophenyl)pyrazol-4-yl]amino]-4-oxobutyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[[1-(2-chlorophenyl)pyrazol-4-yl]amino]-4-oxobutyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[[1-(2-chlorophenyl)pyrazol-4-yl]amino]-4-oxobutyl]cyclopropanecarboxamide is O=C(CCCNC(=O)C1CC1)Nc1cnn(-c2ccccc2Cl)c1.
What is the InChIKey of N-[4-[[1-(2-chlorophenyl)pyrazol-4-yl]amino]-4-oxobutyl]cyclopropanecarboxamide?
The InChIKey is RPZYZZWMMPLZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O2/c18-14-4-1-2-5-15(14)22-11-13(10-20-22)21-16(23)6-3-9-19-17(24)12-7-8-12/h1-2,4-5,10-12H,3,6-9H2,(H,19,24)(H,21,23).
What are the key properties of N-[4-[[1-(2-chlorophenyl)pyrazol-4-yl]amino]-4-oxobutyl]cyclopropanecarboxamide?
N-[4-[[1-(2-chlorophenyl)pyrazol-4-yl]amino]-4-oxobutyl]cyclopropanecarboxamide has a molecular weight of 346.82 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[1-(2-chlorophenyl)pyrazol-4-yl]amino]-4-oxobutyl]cyclopropanecarboxamide is sourced from PubChem (CID 56782466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).