5-chloro-1-pentan-3-yl-3-(trifluoromethyl)pyrazole-4-carbonitrile

C10H11ClF3N3 — CID 63787918

IUPAC5-chloro-1-pentan-3-yl-3-(trifluoromethyl)pyrazole-4-carbonitrile
SMILESCCC(CC)n1nc(C(F)(F)F)c(C#N)c1Cl
InChIInChI=1S/C10H11ClF3N3/c1-3-6(4-2)17-9(11)7(5-15)8(16-17)10(12,13)14/h6H,3-4H2,1-2H3
InChIKeyJJJLYMTUYHZTEE-UHFFFAOYSA-N
MW265.67 g/mol
LogP3.79
Rot. Bonds3

About 5-chloro-1-pentan-3-yl-3-(trifluoromethyl)pyrazole-4-carbonitrile

5-chloro-1-pentan-3-yl-3-(trifluoromethyl)pyrazole-4-carbonitrile (PubChem CID 63787918) has the molecular formula C10H11ClF3N3 and a molecular weight of 265.67 g/mol. Its IUPAC name is 5-chloro-1-pentan-3-yl-3-(trifluoromethyl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-chloro-1-pentan-3-yl-3-(trifluoromethyl)pyrazole-4-carbonitrile
PubChem CID63787918
Molecular FormulaC10H11ClF3N3
Molecular Weight265.67 g/mol
Exact Mass265.06
IUPAC Name5-chloro-1-pentan-3-yl-3-(trifluoromethyl)pyrazole-4-carbonitrile
SMILESCCC(CC)n1nc(C(F)(F)F)c(C#N)c1Cl
InChIInChI=1S/C10H11ClF3N3/c1-3-6(4-2)17-9(11)7(5-15)8(16-17)10(12,13)14/h6H,3-4H2,1-2H3
InChIKeyJJJLYMTUYHZTEE-UHFFFAOYSA-N
XLogP3.79
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.67
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-1,3-dimethyl-1H-pyrazole-4-carbonitrile
CID 1474983
5-chloro-4-(chloromethyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole
CID 43156578
2-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)acetonitrile
CID 75480775
1-[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanamine hydrochloride
CID 165895856
5-Chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile
CID 1475821
5-chloro-1,4-dimethyl-3-(trifluoromethyl)-1H-pyrazole
CID 22087346
3-Chloro-1,4-dimethyl-5-(trifluoromethyl)pyrazole
CID 23392073
5-Chloro-1,3-dimethyl-4-(trifluoromethyl)pyrazole
CID 58615539
5-Chloro-4-ethyl-1-methyl-3-(trifluoromethyl)pyrazole
CID 59688331
5-Chloro-3-(difluoromethyl)-1-methylpyrazole-4-carbonitrile
CID 63789659
1-Tert-butyl-5-chloro-3-(trifluoromethyl)pyrazole-4-carbonitrile
CID 63790380
1-Tert-butyl-5-chloro-4-methyl-3-(trifluoromethyl)pyrazole
CID 66022601

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-pentan-3-yl-3-(trifluoromethyl)pyrazole-4-carbonitrile?
The IUPAC name of 5-chloro-1-pentan-3-yl-3-(trifluoromethyl)pyrazole-4-carbonitrile (CID 63787918) is 5-chloro-1-pentan-3-yl-3-(trifluoromethyl)pyrazole-4-carbonitrile.
What is the SMILES notation for 5-chloro-1-pentan-3-yl-3-(trifluoromethyl)pyrazole-4-carbonitrile?
The canonical SMILES for 5-chloro-1-pentan-3-yl-3-(trifluoromethyl)pyrazole-4-carbonitrile is CCC(CC)n1nc(C(F)(F)F)c(C#N)c1Cl.
What is the InChIKey of 5-chloro-1-pentan-3-yl-3-(trifluoromethyl)pyrazole-4-carbonitrile?
The InChIKey is JJJLYMTUYHZTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3N3/c1-3-6(4-2)17-9(11)7(5-15)8(16-17)10(12,13)14/h6H,3-4H2,1-2H3.
What are the key properties of 5-chloro-1-pentan-3-yl-3-(trifluoromethyl)pyrazole-4-carbonitrile?
5-chloro-1-pentan-3-yl-3-(trifluoromethyl)pyrazole-4-carbonitrile has a molecular weight of 265.67 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-pentan-3-yl-3-(trifluoromethyl)pyrazole-4-carbonitrile is sourced from PubChem (CID 63787918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).