5-chloro-1-(3,4-dichlorophenyl)-3-(difluoromethyl)pyrazole-4-carbonitrile

C11H4Cl3F2N3 — CID 55237712

IUPAC5-chloro-1-(3,4-dichlorophenyl)-3-(difluoromethyl)pyrazole-4-carbonitrile
SMILESN#Cc1c(C(F)F)nn(-c2ccc(Cl)c(Cl)c2)c1Cl
InChIInChI=1S/C11H4Cl3F2N3/c12-7-2-1-5(3-8(7)13)19-10(14)6(4-17)9(18-19)11(15)16/h1-3,11H
InChIKeyMFGNWURFFSKZQR-UHFFFAOYSA-N
MW322.53 g/mol
LogP4.64
Rot. Bonds2

About 5-chloro-1-(3,4-dichlorophenyl)-3-(difluoromethyl)pyrazole-4-carbonitrile

5-chloro-1-(3,4-dichlorophenyl)-3-(difluoromethyl)pyrazole-4-carbonitrile (PubChem CID 55237712) has the molecular formula C11H4Cl3F2N3 and a molecular weight of 322.53 g/mol. Its IUPAC name is 5-chloro-1-(3,4-dichlorophenyl)-3-(difluoromethyl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-chloro-1-(3,4-dichlorophenyl)-3-(difluoromethyl)pyrazole-4-carbonitrile
PubChem CID55237712
Molecular FormulaC11H4Cl3F2N3
Molecular Weight322.53 g/mol
Exact Mass320.94
IUPAC Name5-chloro-1-(3,4-dichlorophenyl)-3-(difluoromethyl)pyrazole-4-carbonitrile
SMILESN#Cc1c(C(F)F)nn(-c2ccc(Cl)c(Cl)c2)c1Cl
InChIInChI=1S/C11H4Cl3F2N3/c12-7-2-1-5(3-8(7)13)19-10(14)6(4-17)9(18-19)11(15)16/h1-3,11H
InChIKeyMFGNWURFFSKZQR-UHFFFAOYSA-N
XLogP4.64
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.53
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(3,4-dichlorophenyl)-3-(difluoromethyl)pyrazole-4-carbonitrile?
The IUPAC name of 5-chloro-1-(3,4-dichlorophenyl)-3-(difluoromethyl)pyrazole-4-carbonitrile (CID 55237712) is 5-chloro-1-(3,4-dichlorophenyl)-3-(difluoromethyl)pyrazole-4-carbonitrile.
What is the SMILES notation for 5-chloro-1-(3,4-dichlorophenyl)-3-(difluoromethyl)pyrazole-4-carbonitrile?
The canonical SMILES for 5-chloro-1-(3,4-dichlorophenyl)-3-(difluoromethyl)pyrazole-4-carbonitrile is N#Cc1c(C(F)F)nn(-c2ccc(Cl)c(Cl)c2)c1Cl.
What is the InChIKey of 5-chloro-1-(3,4-dichlorophenyl)-3-(difluoromethyl)pyrazole-4-carbonitrile?
The InChIKey is MFGNWURFFSKZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4Cl3F2N3/c12-7-2-1-5(3-8(7)13)19-10(14)6(4-17)9(18-19)11(15)16/h1-3,11H.
What are the key properties of 5-chloro-1-(3,4-dichlorophenyl)-3-(difluoromethyl)pyrazole-4-carbonitrile?
5-chloro-1-(3,4-dichlorophenyl)-3-(difluoromethyl)pyrazole-4-carbonitrile has a molecular weight of 322.53 g/mol, XLogP of 4.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(3,4-dichlorophenyl)-3-(difluoromethyl)pyrazole-4-carbonitrile is sourced from PubChem (CID 55237712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).