N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]pyrazine-2-carboxamide

C15H16F3N5O — CID 90614763

IUPACN-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]pyrazine-2-carboxamide
SMILESO=C(NCCn1nc(C(F)(F)F)c2c1CCCC2)c1cnccn1
InChIInChI=1S/C15H16F3N5O/c16-15(17,18)13-10-3-1-2-4-12(10)23(22-13)8-7-21-14(24)11-9-19-5-6-20-11/h5-6,9H,1-4,7-8H2,(H,21,24)
InChIKeyLREHHDDHUPSOAV-UHFFFAOYSA-N
MW339.32 g/mol
LogP2.00
Rot. Bonds4

About N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]pyrazine-2-carboxamide

N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]pyrazine-2-carboxamide (PubChem CID 90614763) has the molecular formula C15H16F3N5O and a molecular weight of 339.32 g/mol. Its IUPAC name is N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]pyrazine-2-carboxamide
PubChem CID90614763
Molecular FormulaC15H16F3N5O
Molecular Weight339.32 g/mol
Exact Mass339.13
IUPAC NameN-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]pyrazine-2-carboxamide
SMILESO=C(NCCn1nc(C(F)(F)F)c2c1CCCC2)c1cnccn1
InChIInChI=1S/C15H16F3N5O/c16-15(17,18)13-10-3-1-2-4-12(10)23(22-13)8-7-21-14(24)11-9-19-5-6-20-11/h5-6,9H,1-4,7-8H2,(H,21,24)
InChIKeyLREHHDDHUPSOAV-UHFFFAOYSA-N
XLogP2.00
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]pyrazine-2-carboxamide
CID 16190969
US10889564, Example 15
CID 129104679
Pyrazin-2-yl-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 72143585
[3-[(dimethylamino)methyl]-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-pyrazin-2-ylmethanone
CID 97516842
N-methyl-N-[[1-methyl-3-[4-(methylaminomethyl)cyclohexyl]pyrazol-5-yl]methyl]pyrazine-2-carboxamide
CID 98129378
N-methyl-N-[[1-methyl-3-[4-(methylaminomethyl)cyclohexyl]pyrazol-5-yl]methyl]pyrazine-2-carboxamide;hydrochloride
CID 118747616
N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-methylpyrazine-2-carboxamide
CID 129104677
[Pyrazin-2-yl-[[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetyl]amino]methylidene]azanium
CID 143868359
N-[(1R)-1-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethyl]pyrazine-2-carboxamide
CID 25624327
N-[(1S)-1-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethyl]pyrazine-2-carboxamide
CID 25624332
N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazine-2-carboxamide
CID 35290408
N-[1-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethyl]pyrazine-2-carboxamide
CID 42945226

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]pyrazine-2-carboxamide?
The IUPAC name of N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]pyrazine-2-carboxamide (CID 90614763) is N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]pyrazine-2-carboxamide is O=C(NCCn1nc(C(F)(F)F)c2c1CCCC2)c1cnccn1.
What is the InChIKey of N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]pyrazine-2-carboxamide?
The InChIKey is LREHHDDHUPSOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N5O/c16-15(17,18)13-10-3-1-2-4-12(10)23(22-13)8-7-21-14(24)11-9-19-5-6-20-11/h5-6,9H,1-4,7-8H2,(H,21,24).
What are the key properties of N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]pyrazine-2-carboxamide?
N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]pyrazine-2-carboxamide has a molecular weight of 339.32 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 90614763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).