1-(2,2-difluoroethyl)-4-(2-methylpropyl)pyrazole

C9H14F2N2 — CID 118301776

IUPAC1-(2,2-difluoroethyl)-4-(2-methylpropyl)pyrazole
SMILESCC(C)Cc1cnn(CC(F)F)c1
InChIInChI=1S/C9H14F2N2/c1-7(2)3-8-4-12-13(5-8)6-9(10)11/h4-5,7,9H,3,6H2,1-2H3
InChIKeyCQXUPQNQUFUZNG-UHFFFAOYSA-N
MW188.22 g/mol
LogP2.35
Rot. Bonds4

About 1-(2,2-difluoroethyl)-4-(2-methylpropyl)pyrazole

1-(2,2-difluoroethyl)-4-(2-methylpropyl)pyrazole (PubChem CID 118301776) has the molecular formula C9H14F2N2 and a molecular weight of 188.22 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-4-(2-methylpropyl)pyrazole.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-4-(2-methylpropyl)pyrazole
PubChem CID118301776
Molecular FormulaC9H14F2N2
Molecular Weight188.22 g/mol
Exact Mass188.11
IUPAC Name1-(2,2-difluoroethyl)-4-(2-methylpropyl)pyrazole
SMILESCC(C)Cc1cnn(CC(F)F)c1
InChIInChI=1S/C9H14F2N2/c1-7(2)3-8-4-12-13(5-8)6-9(10)11/h4-5,7,9H,3,6H2,1-2H3
InChIKeyCQXUPQNQUFUZNG-UHFFFAOYSA-N
XLogP2.35
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-4-(2-methylpropyl)pyrazole?
The IUPAC name of 1-(2,2-difluoroethyl)-4-(2-methylpropyl)pyrazole (CID 118301776) is 1-(2,2-difluoroethyl)-4-(2-methylpropyl)pyrazole.
What is the SMILES notation for 1-(2,2-difluoroethyl)-4-(2-methylpropyl)pyrazole?
The canonical SMILES for 1-(2,2-difluoroethyl)-4-(2-methylpropyl)pyrazole is CC(C)Cc1cnn(CC(F)F)c1.
What is the InChIKey of 1-(2,2-difluoroethyl)-4-(2-methylpropyl)pyrazole?
The InChIKey is CQXUPQNQUFUZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N2/c1-7(2)3-8-4-12-13(5-8)6-9(10)11/h4-5,7,9H,3,6H2,1-2H3.
What are the key properties of 1-(2,2-difluoroethyl)-4-(2-methylpropyl)pyrazole?
1-(2,2-difluoroethyl)-4-(2-methylpropyl)pyrazole has a molecular weight of 188.22 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-4-(2-methylpropyl)pyrazole is sourced from PubChem (CID 118301776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).