4-(cyclopentyliminomethyl)-2-(4-fluorophenyl)-5-propyl-1H-pyrazol-3-one

C18H22FN3O — CID 535457

IUPAC4-(cyclopentyliminomethyl)-2-(4-fluorophenyl)-5-propyl-1H-pyrazol-3-one
SMILESCCCc1[nH]n(-c2ccc(F)cc2)c(=O)c1/C=N/C1CCCC1
InChIInChI=1S/C18H22FN3O/c1-2-5-17-16(12-20-14-6-3-4-7-14)18(23)22(21-17)15-10-8-13(19)9-11-15/h8-12,14,21H,2-7H2,1H3/b20-12+
InChIKeyNGUKMQIZZCELCB-UDWIEESQSA-N
MW315.39 g/mol
LogP3.62
Rot. Bonds5

About 4-(cyclopentyliminomethyl)-2-(4-fluorophenyl)-5-propyl-1H-pyrazol-3-one

4-(cyclopentyliminomethyl)-2-(4-fluorophenyl)-5-propyl-1H-pyrazol-3-one (PubChem CID 535457) has the molecular formula C18H22FN3O and a molecular weight of 315.39 g/mol. Its IUPAC name is 4-(cyclopentyliminomethyl)-2-(4-fluorophenyl)-5-propyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name4-(cyclopentyliminomethyl)-2-(4-fluorophenyl)-5-propyl-1H-pyrazol-3-one
PubChem CID535457
Molecular FormulaC18H22FN3O
Molecular Weight315.39 g/mol
Exact Mass315.17
IUPAC Name4-(cyclopentyliminomethyl)-2-(4-fluorophenyl)-5-propyl-1H-pyrazol-3-one
SMILESCCCc1[nH]n(-c2ccc(F)cc2)c(=O)c1/C=N/C1CCCC1
InChIInChI=1S/C18H22FN3O/c1-2-5-17-16(12-20-14-6-3-4-7-14)18(23)22(21-17)15-10-8-13(19)9-11-15/h8-12,14,21H,2-7H2,1H3/b20-12+
InChIKeyNGUKMQIZZCELCB-UDWIEESQSA-N
XLogP3.62
TPSA50.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-(cyclopentyliminomethyl)-2-(4-fluorophenyl)-5-propyl-1H-pyrazol-3-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentyliminomethyl)-2-(4-fluorophenyl)-5-propyl-1H-pyrazol-3-one?
The IUPAC name of 4-(cyclopentyliminomethyl)-2-(4-fluorophenyl)-5-propyl-1H-pyrazol-3-one (CID 535457) is 4-(cyclopentyliminomethyl)-2-(4-fluorophenyl)-5-propyl-1H-pyrazol-3-one.
What is the SMILES notation for 4-(cyclopentyliminomethyl)-2-(4-fluorophenyl)-5-propyl-1H-pyrazol-3-one?
The canonical SMILES for 4-(cyclopentyliminomethyl)-2-(4-fluorophenyl)-5-propyl-1H-pyrazol-3-one is CCCc1[nH]n(-c2ccc(F)cc2)c(=O)c1/C=N/C1CCCC1.
What is the InChIKey of 4-(cyclopentyliminomethyl)-2-(4-fluorophenyl)-5-propyl-1H-pyrazol-3-one?
The InChIKey is NGUKMQIZZCELCB-UDWIEESQSA-N. The full InChI is InChI=1S/C18H22FN3O/c1-2-5-17-16(12-20-14-6-3-4-7-14)18(23)22(21-17)15-10-8-13(19)9-11-15/h8-12,14,21H,2-7H2,1H3/b20-12+.
What are the key properties of 4-(cyclopentyliminomethyl)-2-(4-fluorophenyl)-5-propyl-1H-pyrazol-3-one?
4-(cyclopentyliminomethyl)-2-(4-fluorophenyl)-5-propyl-1H-pyrazol-3-one has a molecular weight of 315.39 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentyliminomethyl)-2-(4-fluorophenyl)-5-propyl-1H-pyrazol-3-one is sourced from PubChem (CID 535457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).