1-(2-cyclopropyl-2,2-difluoroethyl)-4-methylpyrazole

C9H12F2N2 — CID 58496302

IUPAC1-(2-cyclopropyl-2,2-difluoroethyl)-4-methylpyrazole
SMILESCc1cnn(CC(F)(F)C2CC2)c1
InChIInChI=1S/C9H12F2N2/c1-7-4-12-13(5-7)6-9(10,11)8-2-3-8/h4-5,8H,2-3,6H2,1H3
InChIKeyLREGBCQWXZENPY-UHFFFAOYSA-N
MW186.20 g/mol
LogP2.24
Rot. Bonds3

About 1-(2-cyclopropyl-2,2-difluoroethyl)-4-methylpyrazole

1-(2-cyclopropyl-2,2-difluoroethyl)-4-methylpyrazole (PubChem CID 58496302) has the molecular formula C9H12F2N2 and a molecular weight of 186.20 g/mol. Its IUPAC name is 1-(2-cyclopropyl-2,2-difluoroethyl)-4-methylpyrazole.

Molecular Properties

Compound Name1-(2-cyclopropyl-2,2-difluoroethyl)-4-methylpyrazole
PubChem CID58496302
Molecular FormulaC9H12F2N2
Molecular Weight186.20 g/mol
Exact Mass186.10
IUPAC Name1-(2-cyclopropyl-2,2-difluoroethyl)-4-methylpyrazole
SMILESCc1cnn(CC(F)(F)C2CC2)c1
InChIInChI=1S/C9H12F2N2/c1-7-4-12-13(5-7)6-9(10,11)8-2-3-8/h4-5,8H,2-3,6H2,1H3
InChIKeyLREGBCQWXZENPY-UHFFFAOYSA-N
XLogP2.24
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.20
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyl-2,2-difluoroethyl)-4-methylpyrazole?
The IUPAC name of 1-(2-cyclopropyl-2,2-difluoroethyl)-4-methylpyrazole (CID 58496302) is 1-(2-cyclopropyl-2,2-difluoroethyl)-4-methylpyrazole.
What is the SMILES notation for 1-(2-cyclopropyl-2,2-difluoroethyl)-4-methylpyrazole?
The canonical SMILES for 1-(2-cyclopropyl-2,2-difluoroethyl)-4-methylpyrazole is Cc1cnn(CC(F)(F)C2CC2)c1.
What is the InChIKey of 1-(2-cyclopropyl-2,2-difluoroethyl)-4-methylpyrazole?
The InChIKey is LREGBCQWXZENPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2/c1-7-4-12-13(5-7)6-9(10,11)8-2-3-8/h4-5,8H,2-3,6H2,1H3.
What are the key properties of 1-(2-cyclopropyl-2,2-difluoroethyl)-4-methylpyrazole?
1-(2-cyclopropyl-2,2-difluoroethyl)-4-methylpyrazole has a molecular weight of 186.20 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyl-2,2-difluoroethyl)-4-methylpyrazole is sourced from PubChem (CID 58496302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).