1-[4-[3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]cyclopropane-1-carbonitrile

C17H11F3N4 — CID 134559853

IUPAC1-[4-[3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]cyclopropane-1-carbonitrile
SMILESN#CC1(c2ccc(-c3ccn4ncc(C(F)(F)F)c4n3)cc2)CC1
InChIInChI=1S/C17H11F3N4/c18-17(19,20)13-9-22-24-8-5-14(23-15(13)24)11-1-3-12(4-2-11)16(10-21)6-7-16/h1-5,8-9H,6-7H2
InChIKeyQHJIVQRWJRGPCX-UHFFFAOYSA-N
MW328.30 g/mol
LogP3.97
Rot. Bonds2

About 1-[4-[3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]cyclopropane-1-carbonitrile

1-[4-[3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]cyclopropane-1-carbonitrile (PubChem CID 134559853) has the molecular formula C17H11F3N4 and a molecular weight of 328.30 g/mol. Its IUPAC name is 1-[4-[3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[4-[3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]cyclopropane-1-carbonitrile
PubChem CID134559853
Molecular FormulaC17H11F3N4
Molecular Weight328.30 g/mol
Exact Mass328.09
IUPAC Name1-[4-[3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]cyclopropane-1-carbonitrile
SMILESN#CC1(c2ccc(-c3ccn4ncc(C(F)(F)F)c4n3)cc2)CC1
InChIInChI=1S/C17H11F3N4/c18-17(19,20)13-9-22-24-8-5-14(23-15(13)24)11-1-3-12(4-2-11)16(10-21)6-7-16/h1-5,8-9H,6-7H2
InChIKeyQHJIVQRWJRGPCX-UHFFFAOYSA-N
XLogP3.97
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.30
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[4-[3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]cyclopropane-1-carbonitrile (CID 134559853) is 1-[4-[3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[4-[3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[4-[3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]cyclopropane-1-carbonitrile is N#CC1(c2ccc(-c3ccn4ncc(C(F)(F)F)c4n3)cc2)CC1.
What is the InChIKey of 1-[4-[3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]cyclopropane-1-carbonitrile?
The InChIKey is QHJIVQRWJRGPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N4/c18-17(19,20)13-9-22-24-8-5-14(23-15(13)24)11-1-3-12(4-2-11)16(10-21)6-7-16/h1-5,8-9H,6-7H2.
What are the key properties of 1-[4-[3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]cyclopropane-1-carbonitrile?
1-[4-[3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]cyclopropane-1-carbonitrile has a molecular weight of 328.30 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 134559853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).