1,3-dimethyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazole-4-carbonitrile

C10H8F3N5 — CID 55241929

IUPAC1,3-dimethyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazole-4-carbonitrile
SMILESCc1nn(C)c(-n2ccc(C(F)(F)F)n2)c1C#N
InChIInChI=1S/C10H8F3N5/c1-6-7(5-14)9(17(2)15-6)18-4-3-8(16-18)10(11,12)13/h3-4H,1-2H3
InChIKeyTZJACURIBOWNLB-UHFFFAOYSA-N
MW255.20 g/mol
LogP1.80
Rot. Bonds1

About 1,3-dimethyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazole-4-carbonitrile

1,3-dimethyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazole-4-carbonitrile (PubChem CID 55241929) has the molecular formula C10H8F3N5 and a molecular weight of 255.20 g/mol. Its IUPAC name is 1,3-dimethyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazole-4-carbonitrile.

Molecular Properties

Compound Name1,3-dimethyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazole-4-carbonitrile
PubChem CID55241929
Molecular FormulaC10H8F3N5
Molecular Weight255.20 g/mol
Exact Mass255.07
IUPAC Name1,3-dimethyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazole-4-carbonitrile
SMILESCc1nn(C)c(-n2ccc(C(F)(F)F)n2)c1C#N
InChIInChI=1S/C10H8F3N5/c1-6-7(5-14)9(17(2)15-6)18-4-3-8(16-18)10(11,12)13/h3-4H,1-2H3
InChIKeyTZJACURIBOWNLB-UHFFFAOYSA-N
XLogP1.80
TPSA59.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.20
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazole-4-carbonitrile?
The IUPAC name of 1,3-dimethyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazole-4-carbonitrile (CID 55241929) is 1,3-dimethyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazole-4-carbonitrile.
What is the SMILES notation for 1,3-dimethyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazole-4-carbonitrile?
The canonical SMILES for 1,3-dimethyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazole-4-carbonitrile is Cc1nn(C)c(-n2ccc(C(F)(F)F)n2)c1C#N.
What is the InChIKey of 1,3-dimethyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazole-4-carbonitrile?
The InChIKey is TZJACURIBOWNLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N5/c1-6-7(5-14)9(17(2)15-6)18-4-3-8(16-18)10(11,12)13/h3-4H,1-2H3.
What are the key properties of 1,3-dimethyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazole-4-carbonitrile?
1,3-dimethyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazole-4-carbonitrile has a molecular weight of 255.20 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazole-4-carbonitrile is sourced from PubChem (CID 55241929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).