N-[(1-phenylcyclopentyl)methyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide

C18H20F3N3O — CID 119044290

IUPACN-[(1-phenylcyclopentyl)methyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
SMILESO=C(NCC1(c2ccccc2)CCCC1)c1cnn(CC(F)(F)F)c1
InChIInChI=1S/C18H20F3N3O/c19-18(20,21)13-24-11-14(10-23-24)16(25)22-12-17(8-4-5-9-17)15-6-2-1-3-7-15/h1-3,6-7,10-11H,4-5,8-9,12-13H2,(H,22,25)
InChIKeyHEMZJYWZGWYAFC-UHFFFAOYSA-N
MW351.37 g/mol
LogP3.69
Rot. Bonds5

About N-[(1-phenylcyclopentyl)methyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide

N-[(1-phenylcyclopentyl)methyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide (PubChem CID 119044290) has the molecular formula C18H20F3N3O and a molecular weight of 351.37 g/mol. Its IUPAC name is N-[(1-phenylcyclopentyl)methyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1-phenylcyclopentyl)methyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
PubChem CID119044290
Molecular FormulaC18H20F3N3O
Molecular Weight351.37 g/mol
Exact Mass351.16
IUPAC NameN-[(1-phenylcyclopentyl)methyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
SMILESO=C(NCC1(c2ccccc2)CCCC1)c1cnn(CC(F)(F)F)c1
InChIInChI=1S/C18H20F3N3O/c19-18(20,21)13-24-11-14(10-23-24)16(25)22-12-17(8-4-5-9-17)15-6-2-1-3-7-15/h1-3,6-7,10-11H,4-5,8-9,12-13H2,(H,22,25)
InChIKeyHEMZJYWZGWYAFC-UHFFFAOYSA-N
XLogP3.69
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1-phenylcyclopentyl)methyl]-1-(2,2,2-trifluoroethyl)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

Related Compounds

4-fluoro-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 737856
4-amino-N-[(1-phenylcyclobutyl)methyl]benzamide
CID 110462616
2-methyl-1,3-dioxo-N-[(1-phenylcyclopentyl)methyl]isoindole-5-carboxamide
CID 24586290
1-[[(1-benzylpyrazole-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 120544737
N-[(2R)-2-morpholin-4-yl-2-phenylethyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
CID 124732897
N-[[(4S)-4-phenyloxepan-4-yl]methyl]-4-(trifluoromethyl)benzamide
CID 95100724
N-[(1-phenylcyclopropyl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 56813205
1-(4-fluorophenyl)-6-oxo-N-[(1-phenylcyclohexyl)methyl]pyridine-3-carboxamide
CID 91955095
lithium 1-(2,2,2-trifluoroethyl)pyrazole-4-carboxylate
CID 171808216
2-chloro-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 847347
2-amino-2-methyl-N-[(1-phenylcyclopentyl)methyl]propanamide
CID 110480032
N-[2-oxo-2-[(1-phenylcyclobutyl)methylamino]ethyl]benzamide
CID 46691539

Frequently Asked Questions

What is the IUPAC name of N-[(1-phenylcyclopentyl)methyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
The IUPAC name of N-[(1-phenylcyclopentyl)methyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide (CID 119044290) is N-[(1-phenylcyclopentyl)methyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[(1-phenylcyclopentyl)methyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[(1-phenylcyclopentyl)methyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide is O=C(NCC1(c2ccccc2)CCCC1)c1cnn(CC(F)(F)F)c1.
What is the InChIKey of N-[(1-phenylcyclopentyl)methyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
The InChIKey is HEMZJYWZGWYAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3O/c19-18(20,21)13-24-11-14(10-23-24)16(25)22-12-17(8-4-5-9-17)15-6-2-1-3-7-15/h1-3,6-7,10-11H,4-5,8-9,12-13H2,(H,22,25).
What are the key properties of N-[(1-phenylcyclopentyl)methyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
N-[(1-phenylcyclopentyl)methyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide has a molecular weight of 351.37 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-phenylcyclopentyl)methyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 119044290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).