5-chloro-3-(difluoromethyl)-1-methyl-4-pentan-2-ylpyrazole

C10H15ClF2N2 — CID 163504864

IUPAC5-chloro-3-(difluoromethyl)-1-methyl-4-pentan-2-ylpyrazole
SMILESCCCC(C)c1c(C(F)F)nn(C)c1Cl
InChIInChI=1S/C10H15ClF2N2/c1-4-5-6(2)7-8(10(12)13)14-15(3)9(7)11/h6,10H,4-5H2,1-3H3
InChIKeyCXSWJWQNYCPACG-UHFFFAOYSA-N
MW236.69 g/mol
LogP3.91
Rot. Bonds4

About 5-chloro-3-(difluoromethyl)-1-methyl-4-pentan-2-ylpyrazole

5-chloro-3-(difluoromethyl)-1-methyl-4-pentan-2-ylpyrazole (PubChem CID 163504864) has the molecular formula C10H15ClF2N2 and a molecular weight of 236.69 g/mol. Its IUPAC name is 5-chloro-3-(difluoromethyl)-1-methyl-4-pentan-2-ylpyrazole.

Molecular Properties

Compound Name5-chloro-3-(difluoromethyl)-1-methyl-4-pentan-2-ylpyrazole
PubChem CID163504864
Molecular FormulaC10H15ClF2N2
Molecular Weight236.69 g/mol
Exact Mass236.09
IUPAC Name5-chloro-3-(difluoromethyl)-1-methyl-4-pentan-2-ylpyrazole
SMILESCCCC(C)c1c(C(F)F)nn(C)c1Cl
InChIInChI=1S/C10H15ClF2N2/c1-4-5-6(2)7-8(10(12)13)14-15(3)9(7)11/h6,10H,4-5H2,1-3H3
InChIKeyCXSWJWQNYCPACG-UHFFFAOYSA-N
XLogP3.91
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.69
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(difluoromethyl)-1-methyl-4-pentan-2-ylpyrazole?
The IUPAC name of 5-chloro-3-(difluoromethyl)-1-methyl-4-pentan-2-ylpyrazole (CID 163504864) is 5-chloro-3-(difluoromethyl)-1-methyl-4-pentan-2-ylpyrazole.
What is the SMILES notation for 5-chloro-3-(difluoromethyl)-1-methyl-4-pentan-2-ylpyrazole?
The canonical SMILES for 5-chloro-3-(difluoromethyl)-1-methyl-4-pentan-2-ylpyrazole is CCCC(C)c1c(C(F)F)nn(C)c1Cl.
What is the InChIKey of 5-chloro-3-(difluoromethyl)-1-methyl-4-pentan-2-ylpyrazole?
The InChIKey is CXSWJWQNYCPACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClF2N2/c1-4-5-6(2)7-8(10(12)13)14-15(3)9(7)11/h6,10H,4-5H2,1-3H3.
What are the key properties of 5-chloro-3-(difluoromethyl)-1-methyl-4-pentan-2-ylpyrazole?
5-chloro-3-(difluoromethyl)-1-methyl-4-pentan-2-ylpyrazole has a molecular weight of 236.69 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(difluoromethyl)-1-methyl-4-pentan-2-ylpyrazole is sourced from PubChem (CID 163504864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).