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

C12H12F3N5 — CID 19576717

IUPAC3-[3-(1,5-dimethylpyrazol-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]propanenitrile
SMILESCc1c(-c2cc(C(F)(F)F)n(CCC#N)n2)cnn1C
InChIInChI=1S/C12H12F3N5/c1-8-9(7-17-19(8)2)10-6-11(12(13,14)15)20(18-10)5-3-4-16/h6-7H,3,5H2,1-2H3
InChIKeyMQMUWCYYODXNKJ-UHFFFAOYSA-N
MW283.26 g/mol
LogP2.52
Rot. Bonds3

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

3-[3-(1,5-dimethylpyrazol-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]propanenitrile (PubChem CID 19576717) has the molecular formula C12H12F3N5 and a molecular weight of 283.26 g/mol. Its IUPAC name is 3-[3-(1,5-dimethylpyrazol-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]propanenitrile.

Molecular Properties

Compound Name3-[3-(1,5-dimethylpyrazol-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]propanenitrile
PubChem CID19576717
Molecular FormulaC12H12F3N5
Molecular Weight283.26 g/mol
Exact Mass283.10
IUPAC Name3-[3-(1,5-dimethylpyrazol-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]propanenitrile
SMILESCc1c(-c2cc(C(F)(F)F)n(CCC#N)n2)cnn1C
InChIInChI=1S/C12H12F3N5/c1-8-9(7-17-19(8)2)10-6-11(12(13,14)15)20(18-10)5-3-4-16/h6-7H,3,5H2,1-2H3
InChIKeyMQMUWCYYODXNKJ-UHFFFAOYSA-N
XLogP2.52
TPSA59.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.26
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(1,5-dimethylpyrazol-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]propanenitrile?
The IUPAC name of 3-[3-(1,5-dimethylpyrazol-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]propanenitrile (CID 19576717) is 3-[3-(1,5-dimethylpyrazol-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]propanenitrile.
What is the SMILES notation for 3-[3-(1,5-dimethylpyrazol-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]propanenitrile?
The canonical SMILES for 3-[3-(1,5-dimethylpyrazol-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]propanenitrile is Cc1c(-c2cc(C(F)(F)F)n(CCC#N)n2)cnn1C.
What is the InChIKey of 3-[3-(1,5-dimethylpyrazol-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]propanenitrile?
The InChIKey is MQMUWCYYODXNKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N5/c1-8-9(7-17-19(8)2)10-6-11(12(13,14)15)20(18-10)5-3-4-16/h6-7H,3,5H2,1-2H3.
What are the key properties of 3-[3-(1,5-dimethylpyrazol-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]propanenitrile?
3-[3-(1,5-dimethylpyrazol-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]propanenitrile has a molecular weight of 283.26 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1,5-dimethylpyrazol-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]propanenitrile is sourced from PubChem (CID 19576717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).