3-(trifluoromethyl)-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrazine-2-carboxamide

C10H5F6N5O — CID 161291032

IUPAC3-(trifluoromethyl)-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrazine-2-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)[nH]n1)c1nccnc1C(F)(F)F
InChIInChI=1S/C10H5F6N5O/c11-9(12,13)4-3-5(21-20-4)19-8(22)6-7(10(14,15)16)18-2-1-17-6/h1-3H,(H2,19,20,21,22)
InChIKeyVGIQSOKEBMEAPW-UHFFFAOYSA-N
MW325.17 g/mol
LogP2.49
Rot. Bonds2

About 3-(trifluoromethyl)-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrazine-2-carboxamide

3-(trifluoromethyl)-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrazine-2-carboxamide (PubChem CID 161291032) has the molecular formula C10H5F6N5O and a molecular weight of 325.17 g/mol. Its IUPAC name is 3-(trifluoromethyl)-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-(trifluoromethyl)-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrazine-2-carboxamide
PubChem CID161291032
Molecular FormulaC10H5F6N5O
Molecular Weight325.17 g/mol
Exact Mass325.04
IUPAC Name3-(trifluoromethyl)-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrazine-2-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)[nH]n1)c1nccnc1C(F)(F)F
InChIInChI=1S/C10H5F6N5O/c11-9(12,13)4-3-5(21-20-4)19-8(22)6-7(10(14,15)16)18-2-1-17-6/h1-3H,(H2,19,20,21,22)
InChIKeyVGIQSOKEBMEAPW-UHFFFAOYSA-N
XLogP2.49
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.17
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrazine-2-carboxamide?
The IUPAC name of 3-(trifluoromethyl)-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrazine-2-carboxamide (CID 161291032) is 3-(trifluoromethyl)-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-(trifluoromethyl)-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrazine-2-carboxamide?
The canonical SMILES for 3-(trifluoromethyl)-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrazine-2-carboxamide is O=C(Nc1cc(C(F)(F)F)[nH]n1)c1nccnc1C(F)(F)F.
What is the InChIKey of 3-(trifluoromethyl)-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrazine-2-carboxamide?
The InChIKey is VGIQSOKEBMEAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F6N5O/c11-9(12,13)4-3-5(21-20-4)19-8(22)6-7(10(14,15)16)18-2-1-17-6/h1-3H,(H2,19,20,21,22).
What are the key properties of 3-(trifluoromethyl)-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrazine-2-carboxamide?
3-(trifluoromethyl)-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrazine-2-carboxamide has a molecular weight of 325.17 g/mol, XLogP of 2.49, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 161291032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).