1-(3-cyclopropyl-1-methylpyrazol-5-yl)-3-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]propan-2-one

C18H21F3N4O — CID 58267473

IUPAC1-(3-cyclopropyl-1-methylpyrazol-5-yl)-3-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]propan-2-one
SMILESCn1nc(C2CC2)cc1CC(=O)Cn1nc(C(F)(F)F)c2c1CCCC2
InChIInChI=1S/C18H21F3N4O/c1-24-12(9-15(22-24)11-6-7-11)8-13(26)10-25-16-5-3-2-4-14(16)17(23-25)18(19,20)21/h9,11H,2-8,10H2,1H3
InChIKeyTURXIHRXMLLXTQ-UHFFFAOYSA-N
MW366.39 g/mol
LogP3.20
Rot. Bonds5

About 1-(3-cyclopropyl-1-methylpyrazol-5-yl)-3-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]propan-2-one

1-(3-cyclopropyl-1-methylpyrazol-5-yl)-3-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]propan-2-one (PubChem CID 58267473) has the molecular formula C18H21F3N4O and a molecular weight of 366.39 g/mol. Its IUPAC name is 1-(3-cyclopropyl-1-methylpyrazol-5-yl)-3-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]propan-2-one.

Molecular Properties

Compound Name1-(3-cyclopropyl-1-methylpyrazol-5-yl)-3-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]propan-2-one
PubChem CID58267473
Molecular FormulaC18H21F3N4O
Molecular Weight366.39 g/mol
Exact Mass366.17
IUPAC Name1-(3-cyclopropyl-1-methylpyrazol-5-yl)-3-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]propan-2-one
SMILESCn1nc(C2CC2)cc1CC(=O)Cn1nc(C(F)(F)F)c2c1CCCC2
InChIInChI=1S/C18H21F3N4O/c1-24-12(9-15(22-24)11-6-7-11)8-13(26)10-25-16-5-3-2-4-14(16)17(23-25)18(19,20)21/h9,11H,2-8,10H2,1H3
InChIKeyTURXIHRXMLLXTQ-UHFFFAOYSA-N
XLogP3.20
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(3-cyclopropyl-1-methylpyrazol-5-yl)-3-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]propan-2-one 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-(3-cyclopropyl-1-methylpyrazol-5-yl)-3-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]propan-2-one?
The IUPAC name of 1-(3-cyclopropyl-1-methylpyrazol-5-yl)-3-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]propan-2-one (CID 58267473) is 1-(3-cyclopropyl-1-methylpyrazol-5-yl)-3-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]propan-2-one.
What is the SMILES notation for 1-(3-cyclopropyl-1-methylpyrazol-5-yl)-3-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]propan-2-one?
The canonical SMILES for 1-(3-cyclopropyl-1-methylpyrazol-5-yl)-3-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]propan-2-one is Cn1nc(C2CC2)cc1CC(=O)Cn1nc(C(F)(F)F)c2c1CCCC2.
What is the InChIKey of 1-(3-cyclopropyl-1-methylpyrazol-5-yl)-3-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]propan-2-one?
The InChIKey is TURXIHRXMLLXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N4O/c1-24-12(9-15(22-24)11-6-7-11)8-13(26)10-25-16-5-3-2-4-14(16)17(23-25)18(19,20)21/h9,11H,2-8,10H2,1H3.
What are the key properties of 1-(3-cyclopropyl-1-methylpyrazol-5-yl)-3-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]propan-2-one?
1-(3-cyclopropyl-1-methylpyrazol-5-yl)-3-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]propan-2-one has a molecular weight of 366.39 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropyl-1-methylpyrazol-5-yl)-3-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]propan-2-one is sourced from PubChem (CID 58267473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).