3-[(4,4-difluorocyclohexyl)methyl]-1-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide

C14H18F5N3O — CID 175395367

IUPAC3-[(4,4-difluorocyclohexyl)methyl]-1-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide
SMILESNC(=O)c1cn(CCC(F)(F)F)nc1CC1CCC(F)(F)CC1
InChIInChI=1S/C14H18F5N3O/c15-13(16)3-1-9(2-4-13)7-11-10(12(20)23)8-22(21-11)6-5-14(17,18)19/h8-9H,1-7H2,(H2,20,23)
InChIKeyNNANLGZGGPDFAA-UHFFFAOYSA-N
MW339.31 g/mol
LogP3.30
Rot. Bonds5

About 3-[(4,4-difluorocyclohexyl)methyl]-1-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide

3-[(4,4-difluorocyclohexyl)methyl]-1-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide (PubChem CID 175395367) has the molecular formula C14H18F5N3O and a molecular weight of 339.31 g/mol. Its IUPAC name is 3-[(4,4-difluorocyclohexyl)methyl]-1-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-[(4,4-difluorocyclohexyl)methyl]-1-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide
PubChem CID175395367
Molecular FormulaC14H18F5N3O
Molecular Weight339.31 g/mol
Exact Mass339.14
IUPAC Name3-[(4,4-difluorocyclohexyl)methyl]-1-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide
SMILESNC(=O)c1cn(CCC(F)(F)F)nc1CC1CCC(F)(F)CC1
InChIInChI=1S/C14H18F5N3O/c15-13(16)3-1-9(2-4-13)7-11-10(12(20)23)8-22(21-11)6-5-14(17,18)19/h8-9H,1-7H2,(H2,20,23)
InChIKeyNNANLGZGGPDFAA-UHFFFAOYSA-N
XLogP3.30
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.31
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(4,4-difluorocyclohexyl)methyl]-1-(3,3,3-trifluoropropyl)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 3-[(4,4-difluorocyclohexyl)methyl]-1-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide?
The IUPAC name of 3-[(4,4-difluorocyclohexyl)methyl]-1-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide (CID 175395367) is 3-[(4,4-difluorocyclohexyl)methyl]-1-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide.
What is the SMILES notation for 3-[(4,4-difluorocyclohexyl)methyl]-1-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide?
The canonical SMILES for 3-[(4,4-difluorocyclohexyl)methyl]-1-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide is NC(=O)c1cn(CCC(F)(F)F)nc1CC1CCC(F)(F)CC1.
What is the InChIKey of 3-[(4,4-difluorocyclohexyl)methyl]-1-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide?
The InChIKey is NNANLGZGGPDFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F5N3O/c15-13(16)3-1-9(2-4-13)7-11-10(12(20)23)8-22(21-11)6-5-14(17,18)19/h8-9H,1-7H2,(H2,20,23).
What are the key properties of 3-[(4,4-difluorocyclohexyl)methyl]-1-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide?
3-[(4,4-difluorocyclohexyl)methyl]-1-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide has a molecular weight of 339.31 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,4-difluorocyclohexyl)methyl]-1-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide is sourced from PubChem (CID 175395367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).