1-(2,2-difluoroethyl)-4-(3-methylbutyl)pyrazole

C10H16F2N2 — CID 118301783

IUPAC1-(2,2-difluoroethyl)-4-(3-methylbutyl)pyrazole
SMILESCC(C)CCc1cnn(CC(F)F)c1
InChIInChI=1S/C10H16F2N2/c1-8(2)3-4-9-5-13-14(6-9)7-10(11)12/h5-6,8,10H,3-4,7H2,1-2H3
InChIKeyCAPXPEAXBTUIHU-UHFFFAOYSA-N
MW202.25 g/mol
LogP2.74
Rot. Bonds5

About 1-(2,2-difluoroethyl)-4-(3-methylbutyl)pyrazole

1-(2,2-difluoroethyl)-4-(3-methylbutyl)pyrazole (PubChem CID 118301783) has the molecular formula C10H16F2N2 and a molecular weight of 202.25 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-4-(3-methylbutyl)pyrazole.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-4-(3-methylbutyl)pyrazole
PubChem CID118301783
Molecular FormulaC10H16F2N2
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name1-(2,2-difluoroethyl)-4-(3-methylbutyl)pyrazole
SMILESCC(C)CCc1cnn(CC(F)F)c1
InChIInChI=1S/C10H16F2N2/c1-8(2)3-4-9-5-13-14(6-9)7-10(11)12/h5-6,8,10H,3-4,7H2,1-2H3
InChIKeyCAPXPEAXBTUIHU-UHFFFAOYSA-N
XLogP2.74
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 52.74
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-methylbutyl)pyrazole?
The IUPAC name of 1-(2,2-difluoroethyl)-4-(3-methylbutyl)pyrazole (CID 118301783) is 1-(2,2-difluoroethyl)-4-(3-methylbutyl)pyrazole.
What is the SMILES notation for 1-(2,2-difluoroethyl)-4-(3-methylbutyl)pyrazole?
The canonical SMILES for 1-(2,2-difluoroethyl)-4-(3-methylbutyl)pyrazole is CC(C)CCc1cnn(CC(F)F)c1.
What is the InChIKey of 1-(2,2-difluoroethyl)-4-(3-methylbutyl)pyrazole?
The InChIKey is CAPXPEAXBTUIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N2/c1-8(2)3-4-9-5-13-14(6-9)7-10(11)12/h5-6,8,10H,3-4,7H2,1-2H3.
What are the key properties of 1-(2,2-difluoroethyl)-4-(3-methylbutyl)pyrazole?
1-(2,2-difluoroethyl)-4-(3-methylbutyl)pyrazole has a molecular weight of 202.25 g/mol, XLogP of 2.74, 5 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-methylbutyl)pyrazole is sourced from PubChem (CID 118301783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).