N-[3-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

C14H12F3N3O — CID 5300659

IUPACN-[3-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1n[nH]c2c1CCC2
InChIInChI=1S/C14H12F3N3O/c15-14(16,17)8-3-1-4-9(7-8)18-13(21)12-10-5-2-6-11(10)19-20-12/h1,3-4,7H,2,5-6H2,(H,18,21)(H,19,20)
InChIKeyGERQKPCPAJBLNB-UHFFFAOYSA-N
MW295.26 g/mol
LogP3.17
Rot. Bonds2

About N-[3-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

N-[3-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (PubChem CID 5300659) has the molecular formula C14H12F3N3O and a molecular weight of 295.26 g/mol. Its IUPAC name is N-[3-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
PubChem CID5300659
Molecular FormulaC14H12F3N3O
Molecular Weight295.26 g/mol
Exact Mass295.09
IUPAC NameN-[3-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1n[nH]c2c1CCC2
InChIInChI=1S/C14H12F3N3O/c15-14(16,17)8-3-1-4-9(7-8)18-13(21)12-10-5-2-6-11(10)19-20-12/h1,3-4,7H,2,5-6H2,(H,18,21)(H,19,20)
InChIKeyGERQKPCPAJBLNB-UHFFFAOYSA-N
XLogP3.17
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[3-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-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 N-[3-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of N-[3-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (CID 5300659) is N-[3-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for N-[3-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for N-[3-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is O=C(Nc1cccc(C(F)(F)F)c1)c1n[nH]c2c1CCC2.
What is the InChIKey of N-[3-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is GERQKPCPAJBLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3O/c15-14(16,17)8-3-1-4-9(7-8)18-13(21)12-10-5-2-6-11(10)19-20-12/h1,3-4,7H,2,5-6H2,(H,18,21)(H,19,20).
What are the key properties of N-[3-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
N-[3-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 295.26 g/mol, XLogP of 3.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 5300659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).