5-chloro-3-(difluoromethyl)-1-(4,6-dimethylpyrimidin-2-yl)pyrazole-4-carbonitrile

C11H8ClF2N5 — CID 55237518

IUPAC5-chloro-3-(difluoromethyl)-1-(4,6-dimethylpyrimidin-2-yl)pyrazole-4-carbonitrile
SMILESCc1cc(C)nc(-n2nc(C(F)F)c(C#N)c2Cl)n1
InChIInChI=1S/C11H8ClF2N5/c1-5-3-6(2)17-11(16-5)19-9(12)7(4-15)8(18-19)10(13)14/h3,10H,1-2H3
InChIKeyHVRFUJAXPGVGHV-UHFFFAOYSA-N
MW283.67 g/mol
LogP2.74
Rot. Bonds2

About 5-chloro-3-(difluoromethyl)-1-(4,6-dimethylpyrimidin-2-yl)pyrazole-4-carbonitrile

5-chloro-3-(difluoromethyl)-1-(4,6-dimethylpyrimidin-2-yl)pyrazole-4-carbonitrile (PubChem CID 55237518) has the molecular formula C11H8ClF2N5 and a molecular weight of 283.67 g/mol. Its IUPAC name is 5-chloro-3-(difluoromethyl)-1-(4,6-dimethylpyrimidin-2-yl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-chloro-3-(difluoromethyl)-1-(4,6-dimethylpyrimidin-2-yl)pyrazole-4-carbonitrile
PubChem CID55237518
Molecular FormulaC11H8ClF2N5
Molecular Weight283.67 g/mol
Exact Mass283.04
IUPAC Name5-chloro-3-(difluoromethyl)-1-(4,6-dimethylpyrimidin-2-yl)pyrazole-4-carbonitrile
SMILESCc1cc(C)nc(-n2nc(C(F)F)c(C#N)c2Cl)n1
InChIInChI=1S/C11H8ClF2N5/c1-5-3-6(2)17-11(16-5)19-9(12)7(4-15)8(18-19)10(13)14/h3,10H,1-2H3
InChIKeyHVRFUJAXPGVGHV-UHFFFAOYSA-N
XLogP2.74
TPSA67.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.67
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-3-(difluoromethyl)-1-(6-methylpyrimidin-4-yl)pyrazole-4-carbonitrile
CID 63789860
2-[5-chloro-4-(chloromethyl)-3-(difluoromethyl)pyrazol-1-yl]-4,6-dimethylpyrimidine
CID 62891907
5-chloro-1-(3,4-dichlorophenyl)-3-(difluoromethyl)pyrazole-4-carbonitrile
CID 55237712
1-(4-bromo-2-methylphenyl)-5-chloro-3-(difluoromethyl)pyrazole-4-carbonitrile
CID 104508930
5-chloro-1-(4-cyanophenyl)-3-(difluoromethyl)pyrazole-4-carbonitrile
CID 63789314
1-(4-bromophenyl)-5-chloro-3-(difluoromethyl)pyrazole-4-carbonitrile
CID 55237134
5-chloro-3-(difluoromethyl)-1-(4-ethoxyphenyl)pyrazole-4-carbonitrile
CID 107958516
1-tert-butyl-5-chloro-3-(difluoromethyl)pyrazole-4-carbonitrile
CID 63790023
5-chloro-3-(difluoromethyl)-1-propylpyrazole-4-carbonitrile
CID 63789510
2-(difluoromethyl)-4-(hydroxymethyl)-6-methylpyridine-3-carbonitrile
CID 130078321
5-chloro-1-(4-chloro-3-fluorophenyl)-3-propan-2-ylpyrazole-4-carbonitrile
CID 79149404
5-chloro-1-(3-chlorophenyl)-3-propan-2-ylpyrazole-4-carbonitrile
CID 63788951

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(difluoromethyl)-1-(4,6-dimethylpyrimidin-2-yl)pyrazole-4-carbonitrile?
The IUPAC name of 5-chloro-3-(difluoromethyl)-1-(4,6-dimethylpyrimidin-2-yl)pyrazole-4-carbonitrile (CID 55237518) is 5-chloro-3-(difluoromethyl)-1-(4,6-dimethylpyrimidin-2-yl)pyrazole-4-carbonitrile.
What is the SMILES notation for 5-chloro-3-(difluoromethyl)-1-(4,6-dimethylpyrimidin-2-yl)pyrazole-4-carbonitrile?
The canonical SMILES for 5-chloro-3-(difluoromethyl)-1-(4,6-dimethylpyrimidin-2-yl)pyrazole-4-carbonitrile is Cc1cc(C)nc(-n2nc(C(F)F)c(C#N)c2Cl)n1.
What is the InChIKey of 5-chloro-3-(difluoromethyl)-1-(4,6-dimethylpyrimidin-2-yl)pyrazole-4-carbonitrile?
The InChIKey is HVRFUJAXPGVGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF2N5/c1-5-3-6(2)17-11(16-5)19-9(12)7(4-15)8(18-19)10(13)14/h3,10H,1-2H3.
What are the key properties of 5-chloro-3-(difluoromethyl)-1-(4,6-dimethylpyrimidin-2-yl)pyrazole-4-carbonitrile?
5-chloro-3-(difluoromethyl)-1-(4,6-dimethylpyrimidin-2-yl)pyrazole-4-carbonitrile has a molecular weight of 283.67 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(difluoromethyl)-1-(4,6-dimethylpyrimidin-2-yl)pyrazole-4-carbonitrile is sourced from PubChem (CID 55237518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).