5-chloro-3-(difluoromethyl)-4-(2,2-dimethylpropyl)-1-methylpyrazole

C10H15ClF2N2 — CID 126510148

IUPAC5-chloro-3-(difluoromethyl)-4-(2,2-dimethylpropyl)-1-methylpyrazole
SMILESCn1nc(C(F)F)c(CC(C)(C)C)c1Cl
InChIInChI=1S/C10H15ClF2N2/c1-10(2,3)5-6-7(9(12)13)14-15(4)8(6)11/h9H,5H2,1-4H3
InChIKeyWBZASGSKNOINAK-UHFFFAOYSA-N
MW236.69 g/mol
LogP3.60
Rot. Bonds2

About 5-chloro-3-(difluoromethyl)-4-(2,2-dimethylpropyl)-1-methylpyrazole

5-chloro-3-(difluoromethyl)-4-(2,2-dimethylpropyl)-1-methylpyrazole (PubChem CID 126510148) has the molecular formula C10H15ClF2N2 and a molecular weight of 236.69 g/mol. Its IUPAC name is 5-chloro-3-(difluoromethyl)-4-(2,2-dimethylpropyl)-1-methylpyrazole.

Molecular Properties

Compound Name5-chloro-3-(difluoromethyl)-4-(2,2-dimethylpropyl)-1-methylpyrazole
PubChem CID126510148
Molecular FormulaC10H15ClF2N2
Molecular Weight236.69 g/mol
Exact Mass236.09
IUPAC Name5-chloro-3-(difluoromethyl)-4-(2,2-dimethylpropyl)-1-methylpyrazole
SMILESCn1nc(C(F)F)c(CC(C)(C)C)c1Cl
InChIInChI=1S/C10H15ClF2N2/c1-10(2,3)5-6-7(9(12)13)14-15(4)8(6)11/h9H,5H2,1-4H3
InChIKeyWBZASGSKNOINAK-UHFFFAOYSA-N
XLogP3.60
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.69
LogP ≤ 53.60
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)-4-(2,2-dimethylpropyl)-1-methylpyrazole?
The IUPAC name of 5-chloro-3-(difluoromethyl)-4-(2,2-dimethylpropyl)-1-methylpyrazole (CID 126510148) is 5-chloro-3-(difluoromethyl)-4-(2,2-dimethylpropyl)-1-methylpyrazole.
What is the SMILES notation for 5-chloro-3-(difluoromethyl)-4-(2,2-dimethylpropyl)-1-methylpyrazole?
The canonical SMILES for 5-chloro-3-(difluoromethyl)-4-(2,2-dimethylpropyl)-1-methylpyrazole is Cn1nc(C(F)F)c(CC(C)(C)C)c1Cl.
What is the InChIKey of 5-chloro-3-(difluoromethyl)-4-(2,2-dimethylpropyl)-1-methylpyrazole?
The InChIKey is WBZASGSKNOINAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClF2N2/c1-10(2,3)5-6-7(9(12)13)14-15(4)8(6)11/h9H,5H2,1-4H3.
What are the key properties of 5-chloro-3-(difluoromethyl)-4-(2,2-dimethylpropyl)-1-methylpyrazole?
5-chloro-3-(difluoromethyl)-4-(2,2-dimethylpropyl)-1-methylpyrazole has a molecular weight of 236.69 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(difluoromethyl)-4-(2,2-dimethylpropyl)-1-methylpyrazole is sourced from PubChem (CID 126510148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).