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

C17H20F3N5O — CID 66874913

IUPACN-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
SMILESCn1nc(C2CC2)cc1NC(=O)Cn1nc(C(F)(F)F)c2c1CCCC2
InChIInChI=1S/C17H20F3N5O/c1-24-14(8-12(22-24)10-6-7-10)21-15(26)9-25-13-5-3-2-4-11(13)16(23-25)17(18,19)20/h8,10H,2-7,9H2,1H3,(H,21,26)
InChIKeyZHLFPJVKPWPMGN-UHFFFAOYSA-N
MW367.38 g/mol
LogP3.03
Rot. Bonds4

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

N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide (PubChem CID 66874913) has the molecular formula C17H20F3N5O and a molecular weight of 367.38 g/mol. Its IUPAC name is N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
PubChem CID66874913
Molecular FormulaC17H20F3N5O
Molecular Weight367.38 g/mol
Exact Mass367.16
IUPAC NameN-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
SMILESCn1nc(C2CC2)cc1NC(=O)Cn1nc(C(F)(F)F)c2c1CCCC2
InChIInChI=1S/C17H20F3N5O/c1-24-14(8-12(22-24)10-6-7-10)21-15(26)9-25-13-5-3-2-4-11(13)16(23-25)17(18,19)20/h8,10H,2-7,9H2,1H3,(H,21,26)
InChIKeyZHLFPJVKPWPMGN-UHFFFAOYSA-N
XLogP3.03
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide 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-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
The IUPAC name of N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide (CID 66874913) is N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide.
What is the SMILES notation for N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
The canonical SMILES for N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide is Cn1nc(C2CC2)cc1NC(=O)Cn1nc(C(F)(F)F)c2c1CCCC2.
What is the InChIKey of N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
The InChIKey is ZHLFPJVKPWPMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N5O/c1-24-14(8-12(22-24)10-6-7-10)21-15(26)9-25-13-5-3-2-4-11(13)16(23-25)17(18,19)20/h8,10H,2-7,9H2,1H3,(H,21,26).
What are the key properties of N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide has a molecular weight of 367.38 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide is sourced from PubChem (CID 66874913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).