N-cyclopentyl-3-[(3-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]pyrazole-4-carboxamide

C23H23F2N3O2 — CID 16925852

IUPACN-cyclopentyl-3-[(3-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]pyrazole-4-carboxamide
SMILESO=C(NC1CCCC1)c1cn(Cc2cccc(F)c2)nc1OCc1cccc(F)c1
InChIInChI=1S/C23H23F2N3O2/c24-18-7-3-5-16(11-18)13-28-14-21(22(29)26-20-9-1-2-10-20)23(27-28)30-15-17-6-4-8-19(25)12-17/h3-8,11-12,14,20H,1-2,9-10,13,15H2,(H,26,29)
InChIKeyYHJKAWBBBHUBOO-UHFFFAOYSA-N
MW411.45 g/mol
LogP4.46
Rot. Bonds7

About N-cyclopentyl-3-[(3-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]pyrazole-4-carboxamide

N-cyclopentyl-3-[(3-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]pyrazole-4-carboxamide (PubChem CID 16925852) has the molecular formula C23H23F2N3O2 and a molecular weight of 411.45 g/mol. Its IUPAC name is N-cyclopentyl-3-[(3-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-3-[(3-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]pyrazole-4-carboxamide
PubChem CID16925852
Molecular FormulaC23H23F2N3O2
Molecular Weight411.45 g/mol
Exact Mass411.18
IUPAC NameN-cyclopentyl-3-[(3-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]pyrazole-4-carboxamide
SMILESO=C(NC1CCCC1)c1cn(Cc2cccc(F)c2)nc1OCc1cccc(F)c1
InChIInChI=1S/C23H23F2N3O2/c24-18-7-3-5-16(11-18)13-28-14-21(22(29)26-20-9-1-2-10-20)23(27-28)30-15-17-6-4-8-19(25)12-17/h3-8,11-12,14,20H,1-2,9-10,13,15H2,(H,26,29)
InChIKeyYHJKAWBBBHUBOO-UHFFFAOYSA-N
XLogP4.46
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.45
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-cyclopentyl-3-[(3-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]pyrazole-4-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 N-cyclopentyl-3-[(3-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]pyrazole-4-carboxamide?
The IUPAC name of N-cyclopentyl-3-[(3-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]pyrazole-4-carboxamide (CID 16925852) is N-cyclopentyl-3-[(3-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-cyclopentyl-3-[(3-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for N-cyclopentyl-3-[(3-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]pyrazole-4-carboxamide is O=C(NC1CCCC1)c1cn(Cc2cccc(F)c2)nc1OCc1cccc(F)c1.
What is the InChIKey of N-cyclopentyl-3-[(3-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]pyrazole-4-carboxamide?
The InChIKey is YHJKAWBBBHUBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N3O2/c24-18-7-3-5-16(11-18)13-28-14-21(22(29)26-20-9-1-2-10-20)23(27-28)30-15-17-6-4-8-19(25)12-17/h3-8,11-12,14,20H,1-2,9-10,13,15H2,(H,26,29).
What are the key properties of N-cyclopentyl-3-[(3-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]pyrazole-4-carboxamide?
N-cyclopentyl-3-[(3-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]pyrazole-4-carboxamide has a molecular weight of 411.45 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-[(3-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 16925852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).