N-[4-(trifluoromethyl)cyclohexyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide

C14H18F3N3O2 — CID 175851983

IUPACN-[4-(trifluoromethyl)cyclohexyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide
SMILESO=C(NC1CCC(C(F)(F)F)CC1)c1n[nH]c2c1COCC2
InChIInChI=1S/C14H18F3N3O2/c15-14(16,17)8-1-3-9(4-2-8)18-13(21)12-10-7-22-6-5-11(10)19-20-12/h8-9H,1-7H2,(H,18,21)(H,19,20)
InChIKeyJGBXFRYMDHHYCB-UHFFFAOYSA-N
MW317.31 g/mol
LogP2.33
Rot. Bonds2

About N-[4-(trifluoromethyl)cyclohexyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide

N-[4-(trifluoromethyl)cyclohexyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide (PubChem CID 175851983) has the molecular formula C14H18F3N3O2 and a molecular weight of 317.31 g/mol. Its IUPAC name is N-[4-(trifluoromethyl)cyclohexyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(trifluoromethyl)cyclohexyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide
PubChem CID175851983
Molecular FormulaC14H18F3N3O2
Molecular Weight317.31 g/mol
Exact Mass317.14
IUPAC NameN-[4-(trifluoromethyl)cyclohexyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide
SMILESO=C(NC1CCC(C(F)(F)F)CC1)c1n[nH]c2c1COCC2
InChIInChI=1S/C14H18F3N3O2/c15-14(16,17)8-1-3-9(4-2-8)18-13(21)12-10-7-22-6-5-11(10)19-20-12/h8-9H,1-7H2,(H,18,21)(H,19,20)
InChIKeyJGBXFRYMDHHYCB-UHFFFAOYSA-N
XLogP2.33
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[4-(trifluoromethyl)cyclohexyl]-1,4,6,7-tetrahydropyrano[4,3-c]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-[4-(trifluoromethyl)cyclohexyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide?
The IUPAC name of N-[4-(trifluoromethyl)cyclohexyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide (CID 175851983) is N-[4-(trifluoromethyl)cyclohexyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide.
What is the SMILES notation for N-[4-(trifluoromethyl)cyclohexyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide?
The canonical SMILES for N-[4-(trifluoromethyl)cyclohexyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide is O=C(NC1CCC(C(F)(F)F)CC1)c1n[nH]c2c1COCC2.
What is the InChIKey of N-[4-(trifluoromethyl)cyclohexyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide?
The InChIKey is JGBXFRYMDHHYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O2/c15-14(16,17)8-1-3-9(4-2-8)18-13(21)12-10-7-22-6-5-11(10)19-20-12/h8-9H,1-7H2,(H,18,21)(H,19,20).
What are the key properties of N-[4-(trifluoromethyl)cyclohexyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide?
N-[4-(trifluoromethyl)cyclohexyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide has a molecular weight of 317.31 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(trifluoromethyl)cyclohexyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide is sourced from PubChem (CID 175851983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).