1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole

C20H21F3N4 — CID 68524719

IUPAC1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole
SMILESCc1cc(C)n(Cc2ccc(-n3nc(C(F)(F)F)c4c3CCCC4)cc2)n1
InChIInChI=1S/C20H21F3N4/c1-13-11-14(2)26(24-13)12-15-7-9-16(10-8-15)27-18-6-4-3-5-17(18)19(25-27)20(21,22)23/h7-11H,3-6,12H2,1-2H3
InChIKeyRAINPZOIDAWGIN-UHFFFAOYSA-N
MW374.41 g/mol
LogP4.63
Rot. Bonds3

About 1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole

1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole (PubChem CID 68524719) has the molecular formula C20H21F3N4 and a molecular weight of 374.41 g/mol. Its IUPAC name is 1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole.

Molecular Properties

Compound Name1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole
PubChem CID68524719
Molecular FormulaC20H21F3N4
Molecular Weight374.41 g/mol
Exact Mass374.17
IUPAC Name1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole
SMILESCc1cc(C)n(Cc2ccc(-n3nc(C(F)(F)F)c4c3CCCC4)cc2)n1
InChIInChI=1S/C20H21F3N4/c1-13-11-14(2)26(24-13)12-15-7-9-16(10-8-15)27-18-6-4-3-5-17(18)19(25-27)20(21,22)23/h7-11H,3-6,12H2,1-2H3
InChIKeyRAINPZOIDAWGIN-UHFFFAOYSA-N
XLogP4.63
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.41
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole 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 1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole?
The IUPAC name of 1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole (CID 68524719) is 1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole.
What is the SMILES notation for 1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole?
The canonical SMILES for 1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole is Cc1cc(C)n(Cc2ccc(-n3nc(C(F)(F)F)c4c3CCCC4)cc2)n1.
What is the InChIKey of 1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole?
The InChIKey is RAINPZOIDAWGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N4/c1-13-11-14(2)26(24-13)12-15-7-9-16(10-8-15)27-18-6-4-3-5-17(18)19(25-27)20(21,22)23/h7-11H,3-6,12H2,1-2H3.
What are the key properties of 1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole?
1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole has a molecular weight of 374.41 g/mol, XLogP of 4.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole is sourced from PubChem (CID 68524719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).