1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]cyclopropane-1-carbonitrile

C11H7F3N4 — CID 84804239

IUPAC1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]cyclopropane-1-carbonitrile
SMILESN#CC1(c2cnc3cc(C(F)(F)F)nn3c2)CC1
InChIInChI=1S/C11H7F3N4/c12-11(13,14)8-3-9-16-4-7(5-18(9)17-8)10(6-15)1-2-10/h3-5H,1-2H2
InChIKeyNVMUBYQDTGAAKY-UHFFFAOYSA-N
MW252.20 g/mol
LogP2.30
Rot. Bonds1

About 1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]cyclopropane-1-carbonitrile

1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]cyclopropane-1-carbonitrile (PubChem CID 84804239) has the molecular formula C11H7F3N4 and a molecular weight of 252.20 g/mol. Its IUPAC name is 1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]cyclopropane-1-carbonitrile
PubChem CID84804239
Molecular FormulaC11H7F3N4
Molecular Weight252.20 g/mol
Exact Mass252.06
IUPAC Name1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]cyclopropane-1-carbonitrile
SMILESN#CC1(c2cnc3cc(C(F)(F)F)nn3c2)CC1
InChIInChI=1S/C11H7F3N4/c12-11(13,14)8-3-9-16-4-7(5-18(9)17-8)10(6-15)1-2-10/h3-5H,1-2H2
InChIKeyNVMUBYQDTGAAKY-UHFFFAOYSA-N
XLogP2.30
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.20
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]cyclopropane-1-carbonitrile (CID 84804239) is 1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]cyclopropane-1-carbonitrile is N#CC1(c2cnc3cc(C(F)(F)F)nn3c2)CC1.
What is the InChIKey of 1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]cyclopropane-1-carbonitrile?
The InChIKey is NVMUBYQDTGAAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N4/c12-11(13,14)8-3-9-16-4-7(5-18(9)17-8)10(6-15)1-2-10/h3-5H,1-2H2.
What are the key properties of 1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]cyclopropane-1-carbonitrile?
1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]cyclopropane-1-carbonitrile has a molecular weight of 252.20 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 84804239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).