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

C16H17F3N4O — CID 136565681

IUPACN-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide
SMILESCn1nc2c(c1NC(=O)Cc1cccc(C(F)(F)F)n1)CCCC2
InChIInChI=1S/C16H17F3N4O/c1-23-15(11-6-2-3-7-12(11)22-23)21-14(24)9-10-5-4-8-13(20-10)16(17,18)19/h4-5,8H,2-3,6-7,9H2,1H3,(H,21,24)
InChIKeySWEKBGROPFWZMV-UHFFFAOYSA-N
MW338.33 g/mol
LogP2.89
Rot. Bonds3

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

N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide (PubChem CID 136565681) has the molecular formula C16H17F3N4O and a molecular weight of 338.33 g/mol. Its IUPAC name is N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide
PubChem CID136565681
Molecular FormulaC16H17F3N4O
Molecular Weight338.33 g/mol
Exact Mass338.14
IUPAC NameN-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide
SMILESCn1nc2c(c1NC(=O)Cc1cccc(C(F)(F)F)n1)CCCC2
InChIInChI=1S/C16H17F3N4O/c1-23-15(11-6-2-3-7-12(11)22-23)21-14(24)9-10-5-4-8-13(20-10)16(17,18)19/h4-5,8H,2-3,6-7,9H2,1H3,(H,21,24)
InChIKeySWEKBGROPFWZMV-UHFFFAOYSA-N
XLogP2.89
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide?
The IUPAC name of N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide (CID 136565681) is N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide.
What is the SMILES notation for N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide?
The canonical SMILES for N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide is Cn1nc2c(c1NC(=O)Cc1cccc(C(F)(F)F)n1)CCCC2.
What is the InChIKey of N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide?
The InChIKey is SWEKBGROPFWZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O/c1-23-15(11-6-2-3-7-12(11)22-23)21-14(24)9-10-5-4-8-13(20-10)16(17,18)19/h4-5,8H,2-3,6-7,9H2,1H3,(H,21,24).
What are the key properties of N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide?
N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide has a molecular weight of 338.33 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide is sourced from PubChem (CID 136565681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).