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

C13H18F3N3O — CID 807840

IUPACN-propan-2-yl-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
SMILESCC(C)NC(=O)Cn1nc(C(F)(F)F)c2c1CCCC2
InChIInChI=1S/C13H18F3N3O/c1-8(2)17-11(20)7-19-10-6-4-3-5-9(10)12(18-19)13(14,15)16/h8H,3-7H2,1-2H3,(H,17,20)
InChIKeyQPUGQGVYTIBAJZ-UHFFFAOYSA-N
MW289.30 g/mol
LogP2.31
Rot. Bonds3

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

N-propan-2-yl-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide (PubChem CID 807840) has the molecular formula C13H18F3N3O and a molecular weight of 289.30 g/mol. Its IUPAC name is N-propan-2-yl-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide.

Molecular Properties

Compound NameN-propan-2-yl-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
PubChem CID807840
Molecular FormulaC13H18F3N3O
Molecular Weight289.30 g/mol
Exact Mass289.14
IUPAC NameN-propan-2-yl-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
SMILESCC(C)NC(=O)Cn1nc(C(F)(F)F)c2c1CCCC2
InChIInChI=1S/C13H18F3N3O/c1-8(2)17-11(20)7-19-10-6-4-3-5-9(10)12(18-19)13(14,15)16/h8H,3-7H2,1-2H3,(H,17,20)
InChIKeyQPUGQGVYTIBAJZ-UHFFFAOYSA-N
XLogP2.31
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
The IUPAC name of N-propan-2-yl-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide (CID 807840) is N-propan-2-yl-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide.
What is the SMILES notation for N-propan-2-yl-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
The canonical SMILES for N-propan-2-yl-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide is CC(C)NC(=O)Cn1nc(C(F)(F)F)c2c1CCCC2.
What is the InChIKey of N-propan-2-yl-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
The InChIKey is QPUGQGVYTIBAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O/c1-8(2)17-11(20)7-19-10-6-4-3-5-9(10)12(18-19)13(14,15)16/h8H,3-7H2,1-2H3,(H,17,20).
What are the key properties of N-propan-2-yl-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
N-propan-2-yl-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide has a molecular weight of 289.30 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide is sourced from PubChem (CID 807840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).