3-[5-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)pyrazol-1-yl]propanenitrile

C11H10F3N5 — CID 19622699

IUPAC3-[5-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)pyrazol-1-yl]propanenitrile
SMILESCn1cc(-c2cc(C(F)(F)F)nn2CCC#N)cn1
InChIInChI=1S/C11H10F3N5/c1-18-7-8(6-16-18)9-5-10(11(12,13)14)17-19(9)4-2-3-15/h5-7H,2,4H2,1H3
InChIKeyKUPLUJRCFWUGAT-UHFFFAOYSA-N
MW269.23 g/mol
LogP2.22
Rot. Bonds3

About 3-[5-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)pyrazol-1-yl]propanenitrile

3-[5-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)pyrazol-1-yl]propanenitrile (PubChem CID 19622699) has the molecular formula C11H10F3N5 and a molecular weight of 269.23 g/mol. Its IUPAC name is 3-[5-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)pyrazol-1-yl]propanenitrile.

Molecular Properties

Compound Name3-[5-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)pyrazol-1-yl]propanenitrile
PubChem CID19622699
Molecular FormulaC11H10F3N5
Molecular Weight269.23 g/mol
Exact Mass269.09
IUPAC Name3-[5-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)pyrazol-1-yl]propanenitrile
SMILESCn1cc(-c2cc(C(F)(F)F)nn2CCC#N)cn1
InChIInChI=1S/C11H10F3N5/c1-18-7-8(6-16-18)9-5-10(11(12,13)14)17-19(9)4-2-3-15/h5-7H,2,4H2,1H3
InChIKeyKUPLUJRCFWUGAT-UHFFFAOYSA-N
XLogP2.22
TPSA59.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.23
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)pyrazol-1-yl]propanenitrile?
The IUPAC name of 3-[5-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)pyrazol-1-yl]propanenitrile (CID 19622699) is 3-[5-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)pyrazol-1-yl]propanenitrile.
What is the SMILES notation for 3-[5-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)pyrazol-1-yl]propanenitrile?
The canonical SMILES for 3-[5-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)pyrazol-1-yl]propanenitrile is Cn1cc(-c2cc(C(F)(F)F)nn2CCC#N)cn1.
What is the InChIKey of 3-[5-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)pyrazol-1-yl]propanenitrile?
The InChIKey is KUPLUJRCFWUGAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N5/c1-18-7-8(6-16-18)9-5-10(11(12,13)14)17-19(9)4-2-3-15/h5-7H,2,4H2,1H3.
What are the key properties of 3-[5-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)pyrazol-1-yl]propanenitrile?
3-[5-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)pyrazol-1-yl]propanenitrile has a molecular weight of 269.23 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)pyrazol-1-yl]propanenitrile is sourced from PubChem (CID 19622699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).