1-(2,2-difluoroethyl)-4-(3-methylbutan-2-yl)pyrazole

C10H16F2N2 — CID 118301779

IUPAC1-(2,2-difluoroethyl)-4-(3-methylbutan-2-yl)pyrazole
SMILESCC(C)C(C)c1cnn(CC(F)F)c1
InChIInChI=1S/C10H16F2N2/c1-7(2)8(3)9-4-13-14(5-9)6-10(11)12/h4-5,7-8,10H,6H2,1-3H3
InChIKeyGVDBEIGAWFEWIC-UHFFFAOYSA-N
MW202.25 g/mol
LogP2.91
Rot. Bonds4

About 1-(2,2-difluoroethyl)-4-(3-methylbutan-2-yl)pyrazole

1-(2,2-difluoroethyl)-4-(3-methylbutan-2-yl)pyrazole (PubChem CID 118301779) has the molecular formula C10H16F2N2 and a molecular weight of 202.25 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-4-(3-methylbutan-2-yl)pyrazole.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-4-(3-methylbutan-2-yl)pyrazole
PubChem CID118301779
Molecular FormulaC10H16F2N2
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name1-(2,2-difluoroethyl)-4-(3-methylbutan-2-yl)pyrazole
SMILESCC(C)C(C)c1cnn(CC(F)F)c1
InChIInChI=1S/C10H16F2N2/c1-7(2)8(3)9-4-13-14(5-9)6-10(11)12/h4-5,7-8,10H,6H2,1-3H3
InChIKeyGVDBEIGAWFEWIC-UHFFFAOYSA-N
XLogP2.91
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 52.91
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-(3-methylbutan-2-yl)pyrazole?
The IUPAC name of 1-(2,2-difluoroethyl)-4-(3-methylbutan-2-yl)pyrazole (CID 118301779) is 1-(2,2-difluoroethyl)-4-(3-methylbutan-2-yl)pyrazole.
What is the SMILES notation for 1-(2,2-difluoroethyl)-4-(3-methylbutan-2-yl)pyrazole?
The canonical SMILES for 1-(2,2-difluoroethyl)-4-(3-methylbutan-2-yl)pyrazole is CC(C)C(C)c1cnn(CC(F)F)c1.
What is the InChIKey of 1-(2,2-difluoroethyl)-4-(3-methylbutan-2-yl)pyrazole?
The InChIKey is GVDBEIGAWFEWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N2/c1-7(2)8(3)9-4-13-14(5-9)6-10(11)12/h4-5,7-8,10H,6H2,1-3H3.
What are the key properties of 1-(2,2-difluoroethyl)-4-(3-methylbutan-2-yl)pyrazole?
1-(2,2-difluoroethyl)-4-(3-methylbutan-2-yl)pyrazole has a molecular weight of 202.25 g/mol, XLogP of 2.91, 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-(3-methylbutan-2-yl)pyrazole is sourced from PubChem (CID 118301779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).