2-[[5-[4-(1-cyclohexylpyrazol-4-yl)cyclohexyl]-4-methyl-1,2,4-triazol-3-yl]methoxy]-4-(trifluoromethyl)pyridine

C25H31F3N6O — CID 155261029

IUPAC2-[[5-[4-(1-cyclohexylpyrazol-4-yl)cyclohexyl]-4-methyl-1,2,4-triazol-3-yl]methoxy]-4-(trifluoromethyl)pyridine
SMILESCn1c(COc2cc(C(F)(F)F)ccn2)nnc1C1CCC(c2cnn(C3CCCCC3)c2)CC1
InChIInChI=1S/C25H31F3N6O/c1-33-22(16-35-23-13-20(11-12-29-23)25(26,27)28)31-32-24(33)18-9-7-17(8-10-18)19-14-30-34(15-19)21-5-3-2-4-6-21/h11-15,17-18,21H,2-10,16H2,1H3
InChIKeyKVWRSUMAXWGYGH-UHFFFAOYSA-N
MW488.56 g/mol
LogP5.95
Rot. Bonds6

About 2-[[5-[4-(1-cyclohexylpyrazol-4-yl)cyclohexyl]-4-methyl-1,2,4-triazol-3-yl]methoxy]-4-(trifluoromethyl)pyridine

2-[[5-[4-(1-cyclohexylpyrazol-4-yl)cyclohexyl]-4-methyl-1,2,4-triazol-3-yl]methoxy]-4-(trifluoromethyl)pyridine (PubChem CID 155261029) has the molecular formula C25H31F3N6O and a molecular weight of 488.56 g/mol. Its IUPAC name is 2-[[5-[4-(1-cyclohexylpyrazol-4-yl)cyclohexyl]-4-methyl-1,2,4-triazol-3-yl]methoxy]-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-[[5-[4-(1-cyclohexylpyrazol-4-yl)cyclohexyl]-4-methyl-1,2,4-triazol-3-yl]methoxy]-4-(trifluoromethyl)pyridine
PubChem CID155261029
Molecular FormulaC25H31F3N6O
Molecular Weight488.56 g/mol
Exact Mass488.25
IUPAC Name2-[[5-[4-(1-cyclohexylpyrazol-4-yl)cyclohexyl]-4-methyl-1,2,4-triazol-3-yl]methoxy]-4-(trifluoromethyl)pyridine
SMILESCn1c(COc2cc(C(F)(F)F)ccn2)nnc1C1CCC(c2cnn(C3CCCCC3)c2)CC1
InChIInChI=1S/C25H31F3N6O/c1-33-22(16-35-23-13-20(11-12-29-23)25(26,27)28)31-32-24(33)18-9-7-17(8-10-18)19-14-30-34(15-19)21-5-3-2-4-6-21/h11-15,17-18,21H,2-10,16H2,1H3
InChIKeyKVWRSUMAXWGYGH-UHFFFAOYSA-N
XLogP5.95
TPSA70.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.56
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[[5-[4-(1-cyclohexylpyrazol-4-yl)cyclohexyl]-4-methyl-1,2,4-triazol-3-yl]methoxy]-4-(trifluoromethyl)pyridine 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 2-[[5-[4-(1-cyclohexylpyrazol-4-yl)cyclohexyl]-4-methyl-1,2,4-triazol-3-yl]methoxy]-4-(trifluoromethyl)pyridine?
The IUPAC name of 2-[[5-[4-(1-cyclohexylpyrazol-4-yl)cyclohexyl]-4-methyl-1,2,4-triazol-3-yl]methoxy]-4-(trifluoromethyl)pyridine (CID 155261029) is 2-[[5-[4-(1-cyclohexylpyrazol-4-yl)cyclohexyl]-4-methyl-1,2,4-triazol-3-yl]methoxy]-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-[[5-[4-(1-cyclohexylpyrazol-4-yl)cyclohexyl]-4-methyl-1,2,4-triazol-3-yl]methoxy]-4-(trifluoromethyl)pyridine?
The canonical SMILES for 2-[[5-[4-(1-cyclohexylpyrazol-4-yl)cyclohexyl]-4-methyl-1,2,4-triazol-3-yl]methoxy]-4-(trifluoromethyl)pyridine is Cn1c(COc2cc(C(F)(F)F)ccn2)nnc1C1CCC(c2cnn(C3CCCCC3)c2)CC1.
What is the InChIKey of 2-[[5-[4-(1-cyclohexylpyrazol-4-yl)cyclohexyl]-4-methyl-1,2,4-triazol-3-yl]methoxy]-4-(trifluoromethyl)pyridine?
The InChIKey is KVWRSUMAXWGYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31F3N6O/c1-33-22(16-35-23-13-20(11-12-29-23)25(26,27)28)31-32-24(33)18-9-7-17(8-10-18)19-14-30-34(15-19)21-5-3-2-4-6-21/h11-15,17-18,21H,2-10,16H2,1H3.
What are the key properties of 2-[[5-[4-(1-cyclohexylpyrazol-4-yl)cyclohexyl]-4-methyl-1,2,4-triazol-3-yl]methoxy]-4-(trifluoromethyl)pyridine?
2-[[5-[4-(1-cyclohexylpyrazol-4-yl)cyclohexyl]-4-methyl-1,2,4-triazol-3-yl]methoxy]-4-(trifluoromethyl)pyridine has a molecular weight of 488.56 g/mol, XLogP of 5.95, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[4-(1-cyclohexylpyrazol-4-yl)cyclohexyl]-4-methyl-1,2,4-triazol-3-yl]methoxy]-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 155261029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).