1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonitrile

C11H4Cl2F3N3 — CID 67446980

IUPAC1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonitrile
SMILESN#Cc1ccn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)n1
InChIInChI=1S/C11H4Cl2F3N3/c12-8-3-6(11(14,15)16)4-9(13)10(8)19-2-1-7(5-17)18-19/h1-4H
InChIKeyQWAGZTFRUJNXJP-UHFFFAOYSA-N
MW306.07 g/mol
LogP4.07
Rot. Bonds1

About 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonitrile

1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonitrile (PubChem CID 67446980) has the molecular formula C11H4Cl2F3N3 and a molecular weight of 306.07 g/mol. Its IUPAC name is 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonitrile.

Molecular Properties

Compound Name1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonitrile
PubChem CID67446980
Molecular FormulaC11H4Cl2F3N3
Molecular Weight306.07 g/mol
Exact Mass304.97
IUPAC Name1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonitrile
SMILESN#Cc1ccn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)n1
InChIInChI=1S/C11H4Cl2F3N3/c12-8-3-6(11(14,15)16)4-9(13)10(8)19-2-1-7(5-17)18-19/h1-4H
InChIKeyQWAGZTFRUJNXJP-UHFFFAOYSA-N
XLogP4.07
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.07
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonitrile?
The IUPAC name of 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonitrile (CID 67446980) is 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonitrile.
What is the SMILES notation for 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonitrile?
The canonical SMILES for 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonitrile is N#Cc1ccn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)n1.
What is the InChIKey of 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonitrile?
The InChIKey is QWAGZTFRUJNXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4Cl2F3N3/c12-8-3-6(11(14,15)16)4-9(13)10(8)19-2-1-7(5-17)18-19/h1-4H.
What are the key properties of 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonitrile?
1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonitrile has a molecular weight of 306.07 g/mol, XLogP of 4.07, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonitrile is sourced from PubChem (CID 67446980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).