N-pyrazin-2-yl-5-[2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C16H14F3N7O — CID 78098766

IUPACN-pyrazin-2-yl-5-[2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1cnccn1)c1cnn2ccc(N3CCCC3C(F)(F)F)nc12
InChIInChI=1S/C16H14F3N7O/c17-16(18,19)11-2-1-6-25(11)13-3-7-26-14(24-13)10(8-22-26)15(27)23-12-9-20-4-5-21-12/h3-5,7-9,11H,1-2,6H2,(H,21,23,27)
InChIKeyOKIUQSDPTYPHID-UHFFFAOYSA-N
MW377.33 g/mol
LogP2.30
Rot. Bonds3

About N-pyrazin-2-yl-5-[2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-pyrazin-2-yl-5-[2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 78098766) has the molecular formula C16H14F3N7O and a molecular weight of 377.33 g/mol. Its IUPAC name is N-pyrazin-2-yl-5-[2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-pyrazin-2-yl-5-[2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID78098766
Molecular FormulaC16H14F3N7O
Molecular Weight377.33 g/mol
Exact Mass377.12
IUPAC NameN-pyrazin-2-yl-5-[2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1cnccn1)c1cnn2ccc(N3CCCC3C(F)(F)F)nc12
InChIInChI=1S/C16H14F3N7O/c17-16(18,19)11-2-1-6-25(11)13-3-7-26-14(24-13)10(8-22-26)15(27)23-12-9-20-4-5-21-12/h3-5,7-9,11H,1-2,6H2,(H,21,23,27)
InChIKeyOKIUQSDPTYPHID-UHFFFAOYSA-N
XLogP2.30
TPSA88.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.33
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-pyrazin-2-yl-5-[2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-pyrazin-2-yl-5-[2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 78098766) is N-pyrazin-2-yl-5-[2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-pyrazin-2-yl-5-[2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-pyrazin-2-yl-5-[2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(Nc1cnccn1)c1cnn2ccc(N3CCCC3C(F)(F)F)nc12.
What is the InChIKey of N-pyrazin-2-yl-5-[2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is OKIUQSDPTYPHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N7O/c17-16(18,19)11-2-1-6-25(11)13-3-7-26-14(24-13)10(8-22-26)15(27)23-12-9-20-4-5-21-12/h3-5,7-9,11H,1-2,6H2,(H,21,23,27).
What are the key properties of N-pyrazin-2-yl-5-[2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-pyrazin-2-yl-5-[2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 377.33 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrazin-2-yl-5-[2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 78098766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).