5-(4-fluorophenyl)-N-[4-(methylcarbamoyl)cyclohexyl]pyrazolidine-3-carboxamide

C18H25FN4O2 — CID 52986904

IUPAC5-(4-fluorophenyl)-N-[4-(methylcarbamoyl)cyclohexyl]pyrazolidine-3-carboxamide
SMILESCNC(=O)C1CCC(NC(=O)C2CC(c3ccc(F)cc3)NN2)CC1
InChIInChI=1S/C18H25FN4O2/c1-20-17(24)12-4-8-14(9-5-12)21-18(25)16-10-15(22-23-16)11-2-6-13(19)7-3-11/h2-3,6-7,12,14-16,22-23H,4-5,8-10H2,1H3,(H,20,24)(H,21,25)
InChIKeyGQIPLORNOIKUNL-UHFFFAOYSA-N
MW348.42 g/mol
LogP1.15
Rot. Bonds4

About 5-(4-fluorophenyl)-N-[4-(methylcarbamoyl)cyclohexyl]pyrazolidine-3-carboxamide

5-(4-fluorophenyl)-N-[4-(methylcarbamoyl)cyclohexyl]pyrazolidine-3-carboxamide (PubChem CID 52986904) has the molecular formula C18H25FN4O2 and a molecular weight of 348.42 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-[4-(methylcarbamoyl)cyclohexyl]pyrazolidine-3-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-[4-(methylcarbamoyl)cyclohexyl]pyrazolidine-3-carboxamide
PubChem CID52986904
Molecular FormulaC18H25FN4O2
Molecular Weight348.42 g/mol
Exact Mass348.20
IUPAC Name5-(4-fluorophenyl)-N-[4-(methylcarbamoyl)cyclohexyl]pyrazolidine-3-carboxamide
SMILESCNC(=O)C1CCC(NC(=O)C2CC(c3ccc(F)cc3)NN2)CC1
InChIInChI=1S/C18H25FN4O2/c1-20-17(24)12-4-8-14(9-5-12)21-18(25)16-10-15(22-23-16)11-2-6-13(19)7-3-11/h2-3,6-7,12,14-16,22-23H,4-5,8-10H2,1H3,(H,20,24)(H,21,25)
InChIKeyGQIPLORNOIKUNL-UHFFFAOYSA-N
XLogP1.15
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 51.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 5-(4-fluorophenyl)-N-[4-(methylcarbamoyl)cyclohexyl]pyrazolidine-3-carboxamide 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 5-(4-fluorophenyl)-N-[4-(methylcarbamoyl)cyclohexyl]pyrazolidine-3-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-[4-(methylcarbamoyl)cyclohexyl]pyrazolidine-3-carboxamide (CID 52986904) is 5-(4-fluorophenyl)-N-[4-(methylcarbamoyl)cyclohexyl]pyrazolidine-3-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-[4-(methylcarbamoyl)cyclohexyl]pyrazolidine-3-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-[4-(methylcarbamoyl)cyclohexyl]pyrazolidine-3-carboxamide is CNC(=O)C1CCC(NC(=O)C2CC(c3ccc(F)cc3)NN2)CC1.
What is the InChIKey of 5-(4-fluorophenyl)-N-[4-(methylcarbamoyl)cyclohexyl]pyrazolidine-3-carboxamide?
The InChIKey is GQIPLORNOIKUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN4O2/c1-20-17(24)12-4-8-14(9-5-12)21-18(25)16-10-15(22-23-16)11-2-6-13(19)7-3-11/h2-3,6-7,12,14-16,22-23H,4-5,8-10H2,1H3,(H,20,24)(H,21,25).
What are the key properties of 5-(4-fluorophenyl)-N-[4-(methylcarbamoyl)cyclohexyl]pyrazolidine-3-carboxamide?
5-(4-fluorophenyl)-N-[4-(methylcarbamoyl)cyclohexyl]pyrazolidine-3-carboxamide has a molecular weight of 348.42 g/mol, XLogP of 1.15, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-[4-(methylcarbamoyl)cyclohexyl]pyrazolidine-3-carboxamide is sourced from PubChem (CID 52986904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).