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

C16H20F3N5O — CID 58267459

IUPAC2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1NC(=O)Cn1nc(C(F)(F)F)c2c1CCCC2
InChIInChI=1S/C16H20F3N5O/c1-9-14(10(2)23(3)21-9)20-13(25)8-24-12-7-5-4-6-11(12)15(22-24)16(17,18)19/h4-8H2,1-3H3,(H,20,25)
InChIKeyOAPJFZTXGWCNRI-UHFFFAOYSA-N
MW355.36 g/mol
LogP2.77
Rot. Bonds3

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

2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 58267459) has the molecular formula C16H20F3N5O and a molecular weight of 355.36 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID58267459
Molecular FormulaC16H20F3N5O
Molecular Weight355.36 g/mol
Exact Mass355.16
IUPAC Name2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1NC(=O)Cn1nc(C(F)(F)F)c2c1CCCC2
InChIInChI=1S/C16H20F3N5O/c1-9-14(10(2)23(3)21-9)20-13(25)8-24-12-7-5-4-6-11(12)15(22-24)16(17,18)19/h4-8H2,1-3H3,(H,20,25)
InChIKeyOAPJFZTXGWCNRI-UHFFFAOYSA-N
XLogP2.77
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]acetamide
CID 788042
1-(4-Methyl-piperidin-1-yl)-2-(3-trifluoromethyl-4,5,6,7-tetrahydro-indazol-1-yl)-ethanone
CID 649781
N-isobutyl-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]acetamide
CID 798599
N-Cyclopentyl-2-(3-trifluoromethyl-4,5,6,7-tetrahydro-indazol-1-yl)-acetamide
CID 650832
N-sec-Butyl-2-(3-trifluoromethyl-4,5,6,7-tetrahydro-indazol-1-yl)-acetamide
CID 3136365
1-(3,5-Dimethylpiperidin-1-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanone
CID 168300272
N-propyl-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
CID 2056737
N-(tert-butyl)-2-[3-(trifluoromethyl)(1H-4,5,6,7-tetrahydroindazolyl)]acetamid e
CID 3136366
N-(1,3,5-trimethylpyrazol-4-yl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
CID 56780695
2-(2,5-dioxopyrrolidin-1-yl)-N-(2-(3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl)ethyl)acetamide
CID 72718568
N-cyclohexyl-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]acetamide
CID 807829
1-(Azepan-1-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanone
CID 807834

Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of 2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 58267459) is 2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is Cc1nn(C)c(C)c1NC(=O)Cn1nc(C(F)(F)F)c2c1CCCC2.
What is the InChIKey of 2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is OAPJFZTXGWCNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N5O/c1-9-14(10(2)23(3)21-9)20-13(25)8-24-12-7-5-4-6-11(12)15(22-24)16(17,18)19/h4-8H2,1-3H3,(H,20,25).
What are the key properties of 2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 355.36 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 58267459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).