N-[2-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]pyrazine-2-carboxamide

C18H11F3N6O — CID 71525566

IUPACN-[2-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]pyrazine-2-carboxamide
SMILESO=C(Nc1ccnc2cc(-c3ccccc3C(F)(F)F)nn12)c1cnccn1
InChIInChI=1S/C18H11F3N6O/c19-18(20,21)12-4-2-1-3-11(12)13-9-16-24-6-5-15(27(16)26-13)25-17(28)14-10-22-7-8-23-14/h1-10H,(H,25,28)
InChIKeyKXONDVBUUQWICA-UHFFFAOYSA-N
MW384.32 g/mol
LogP3.46
Rot. Bonds3

About N-[2-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]pyrazine-2-carboxamide

N-[2-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]pyrazine-2-carboxamide (PubChem CID 71525566) has the molecular formula C18H11F3N6O and a molecular weight of 384.32 g/mol. Its IUPAC name is N-[2-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]pyrazine-2-carboxamide
PubChem CID71525566
Molecular FormulaC18H11F3N6O
Molecular Weight384.32 g/mol
Exact Mass384.09
IUPAC NameN-[2-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]pyrazine-2-carboxamide
SMILESO=C(Nc1ccnc2cc(-c3ccccc3C(F)(F)F)nn12)c1cnccn1
InChIInChI=1S/C18H11F3N6O/c19-18(20,21)12-4-2-1-3-11(12)13-9-16-24-6-5-15(27(16)26-13)25-17(28)14-10-22-7-8-23-14/h1-10H,(H,25,28)
InChIKeyKXONDVBUUQWICA-UHFFFAOYSA-N
XLogP3.46
TPSA85.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.32
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[2-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]pyrazine-2-carboxamide (CID 71525566) is N-[2-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[2-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]pyrazine-2-carboxamide is O=C(Nc1ccnc2cc(-c3ccccc3C(F)(F)F)nn12)c1cnccn1.
What is the InChIKey of N-[2-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]pyrazine-2-carboxamide?
The InChIKey is KXONDVBUUQWICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F3N6O/c19-18(20,21)12-4-2-1-3-11(12)13-9-16-24-6-5-15(27(16)26-13)25-17(28)14-10-22-7-8-23-14/h1-10H,(H,25,28).
What are the key properties of N-[2-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]pyrazine-2-carboxamide?
N-[2-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]pyrazine-2-carboxamide has a molecular weight of 384.32 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 71525566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).