1-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]cyclopropane-1-carbonitrile

C14H10F3N3 — CID 66661552

IUPAC1-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]cyclopropane-1-carbonitrile
SMILESN#CC1(c2ccc(-n3ccc(C(F)(F)F)n3)cc2)CC1
InChIInChI=1S/C14H10F3N3/c15-14(16,17)12-5-8-20(19-12)11-3-1-10(2-4-11)13(9-18)6-7-13/h1-5,8H,6-7H2
InChIKeyDWJGLUSKQWLEQA-UHFFFAOYSA-N
MW277.25 g/mol
LogP3.45
Rot. Bonds2

About 1-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]cyclopropane-1-carbonitrile

1-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]cyclopropane-1-carbonitrile (PubChem CID 66661552) has the molecular formula C14H10F3N3 and a molecular weight of 277.25 g/mol. Its IUPAC name is 1-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]cyclopropane-1-carbonitrile
PubChem CID66661552
Molecular FormulaC14H10F3N3
Molecular Weight277.25 g/mol
Exact Mass277.08
IUPAC Name1-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]cyclopropane-1-carbonitrile
SMILESN#CC1(c2ccc(-n3ccc(C(F)(F)F)n3)cc2)CC1
InChIInChI=1S/C14H10F3N3/c15-14(16,17)12-5-8-20(19-12)11-3-1-10(2-4-11)13(9-18)6-7-13/h1-5,8H,6-7H2
InChIKeyDWJGLUSKQWLEQA-UHFFFAOYSA-N
XLogP3.45
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]cyclopropane-1-carbonitrile (CID 66661552) is 1-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]cyclopropane-1-carbonitrile is N#CC1(c2ccc(-n3ccc(C(F)(F)F)n3)cc2)CC1.
What is the InChIKey of 1-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]cyclopropane-1-carbonitrile?
The InChIKey is DWJGLUSKQWLEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3/c15-14(16,17)12-5-8-20(19-12)11-3-1-10(2-4-11)13(9-18)6-7-13/h1-5,8H,6-7H2.
What are the key properties of 1-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]cyclopropane-1-carbonitrile?
1-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]cyclopropane-1-carbonitrile has a molecular weight of 277.25 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 66661552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).