5-amino-4-[2,2-difluoro-1-(trifluoromethyl)cyclopropyl]-1-[2,6-difluoro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonitrile

C15H6F10N4 — CID 11774812

IUPAC5-amino-4-[2,2-difluoro-1-(trifluoromethyl)cyclopropyl]-1-[2,6-difluoro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonitrile
SMILESN#Cc1nn(-c2c(F)cc(C(F)(F)F)cc2F)c(N)c1C1(C(F)(F)F)CC1(F)F
InChIInChI=1S/C15H6F10N4/c16-6-1-5(14(20,21)22)2-7(17)10(6)29-11(27)9(8(3-26)28-29)12(15(23,24)25)4-13(12,18)19/h1-2H,4,27H2
InChIKeyHSOZTRRLIBNGMU-UHFFFAOYSA-N
MW432.22 g/mol
LogP4.46
Rot. Bonds2

About 5-amino-4-[2,2-difluoro-1-(trifluoromethyl)cyclopropyl]-1-[2,6-difluoro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonitrile

5-amino-4-[2,2-difluoro-1-(trifluoromethyl)cyclopropyl]-1-[2,6-difluoro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonitrile (PubChem CID 11774812) has the molecular formula C15H6F10N4 and a molecular weight of 432.22 g/mol. Its IUPAC name is 5-amino-4-[2,2-difluoro-1-(trifluoromethyl)cyclopropyl]-1-[2,6-difluoro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonitrile.

Molecular Properties

Compound Name5-amino-4-[2,2-difluoro-1-(trifluoromethyl)cyclopropyl]-1-[2,6-difluoro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonitrile
PubChem CID11774812
Molecular FormulaC15H6F10N4
Molecular Weight432.22 g/mol
Exact Mass432.04
IUPAC Name5-amino-4-[2,2-difluoro-1-(trifluoromethyl)cyclopropyl]-1-[2,6-difluoro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonitrile
SMILESN#Cc1nn(-c2c(F)cc(C(F)(F)F)cc2F)c(N)c1C1(C(F)(F)F)CC1(F)F
InChIInChI=1S/C15H6F10N4/c16-6-1-5(14(20,21)22)2-7(17)10(6)29-11(27)9(8(3-26)28-29)12(15(23,24)25)4-13(12,18)19/h1-2H,4,27H2
InChIKeyHSOZTRRLIBNGMU-UHFFFAOYSA-N
XLogP4.46
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.22
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)-1H-pyrazole-3-carbonitrile
CID 22673275
5-Amino-4-cyano-1-phenyl-1H-pyrazole-3-acetonitrile
CID 81585
Sisapronil
CID 11236633
5-Amino-3-(cyanomethyl)-1-(3-methylphenyl)pyrazole-4-carbonitrile
CID 2444719
5-Amino-3-cyanomethyl-1-(4-fluoro-phenyl)-1H-pyrazole-4-carbonitrile
CID 2444887
5-amino-3-ethyl-1-phenyl-1H-pyrazole-4-carbonitrile
CID 899879
5-Amino-3-cyanomethyl-1-p-tolyl-1H-pyrazole-4-carbonitrile
CID 2571112
Propenenitrile, 2-(5-amino-4-cyano-1-phenylpyrazol-3-yl)-3-(4-fluorophenyl)-
CID 5286857
1-Phenyl-3-trifluoromethyl-4-cyano-5-aminopyrazole
CID 692058
5-Amino-1-(4-(trifluoromethyl)phenyl)-1H-pyrazole-4-carbonitrile
CID 12952992
3-(5-amino-3-tert-butyl-1H-pyrazol-1-yl)benzonitrile
CID 43543003
5-amino-4-methyl-1-phenyl-1H-pyrazole-3-carbonitrile
CID 57549062

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[2,2-difluoro-1-(trifluoromethyl)cyclopropyl]-1-[2,6-difluoro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonitrile?
The IUPAC name of 5-amino-4-[2,2-difluoro-1-(trifluoromethyl)cyclopropyl]-1-[2,6-difluoro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonitrile (CID 11774812) is 5-amino-4-[2,2-difluoro-1-(trifluoromethyl)cyclopropyl]-1-[2,6-difluoro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonitrile.
What is the SMILES notation for 5-amino-4-[2,2-difluoro-1-(trifluoromethyl)cyclopropyl]-1-[2,6-difluoro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonitrile?
The canonical SMILES for 5-amino-4-[2,2-difluoro-1-(trifluoromethyl)cyclopropyl]-1-[2,6-difluoro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonitrile is N#Cc1nn(-c2c(F)cc(C(F)(F)F)cc2F)c(N)c1C1(C(F)(F)F)CC1(F)F.
What is the InChIKey of 5-amino-4-[2,2-difluoro-1-(trifluoromethyl)cyclopropyl]-1-[2,6-difluoro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonitrile?
The InChIKey is HSOZTRRLIBNGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H6F10N4/c16-6-1-5(14(20,21)22)2-7(17)10(6)29-11(27)9(8(3-26)28-29)12(15(23,24)25)4-13(12,18)19/h1-2H,4,27H2.
What are the key properties of 5-amino-4-[2,2-difluoro-1-(trifluoromethyl)cyclopropyl]-1-[2,6-difluoro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonitrile?
5-amino-4-[2,2-difluoro-1-(trifluoromethyl)cyclopropyl]-1-[2,6-difluoro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonitrile has a molecular weight of 432.22 g/mol, XLogP of 4.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[2,2-difluoro-1-(trifluoromethyl)cyclopropyl]-1-[2,6-difluoro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonitrile is sourced from PubChem (CID 11774812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).