1-(difluoromethyl)-4-(4-methylphenyl)pyrazole;ethane

C15H22F2N2 — CID 178061150

IUPAC1-(difluoromethyl)-4-(4-methylphenyl)pyrazole;ethane
SMILESCC.CC.Cc1ccc(-c2cnn(C(F)F)c2)cc1
InChIInChI=1S/C11H10F2N2.2C2H6/c1-8-2-4-9(5-3-8)10-6-14-15(7-10)11(12)13;2*1-2/h2-7,11H,1H3;2*1-2H3
InChIKeyFGLLAJXQYVJDRI-UHFFFAOYSA-N
MW268.35 g/mol
LogP5.31
Rot. Bonds2

About 1-(difluoromethyl)-4-(4-methylphenyl)pyrazole;ethane

1-(difluoromethyl)-4-(4-methylphenyl)pyrazole;ethane (PubChem CID 178061150) has the molecular formula C15H22F2N2 and a molecular weight of 268.35 g/mol. Its IUPAC name is 1-(difluoromethyl)-4-(4-methylphenyl)pyrazole;ethane.

Molecular Properties

Compound Name1-(difluoromethyl)-4-(4-methylphenyl)pyrazole;ethane
PubChem CID178061150
Molecular FormulaC15H22F2N2
Molecular Weight268.35 g/mol
Exact Mass268.18
IUPAC Name1-(difluoromethyl)-4-(4-methylphenyl)pyrazole;ethane
SMILESCC.CC.Cc1ccc(-c2cnn(C(F)F)c2)cc1
InChIInChI=1S/C11H10F2N2.2C2H6/c1-8-2-4-9(5-3-8)10-6-14-15(7-10)11(12)13;2*1-2/h2-7,11H,1H3;2*1-2H3
InChIKeyFGLLAJXQYVJDRI-UHFFFAOYSA-N
XLogP5.31
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.35
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(difluoromethyl)-4-(4-methylphenyl)pyrazole
CID 121385898
[4-[1-(difluoromethyl)pyrazol-4-yl]-2-methylphenyl]methanol
CID 171392247
4-[1-(difluoromethyl)pyrazol-4-yl]-2-methylbenzoic acid
CID 171392245
6-[1-(difluoromethyl)pyrazol-4-yl]naphthalen-2-ol
CID 167766852
3-[1-(difluoromethyl)pyrazol-4-yl]phenol
CID 171392227
N-(aminomethylidene)-4-[1-(difluoromethyl)pyrazol-4-yl]benzamide
CID 142559149
[4-[1-(difluoromethyl)pyrazol-4-yl]-2-fluorophenyl]methanamine;hydrochloride
CID 171392254
4-[1-(4-methylpentan-2-yl)pyrazol-4-yl]aniline
CID 114284742
1,4-bis(4-methylphenyl)pyrazole;methanamine
CID 153378123
dideuterio-[3-[1-(difluoromethyl)pyrazol-4-yl]phenyl]methanol
CID 175937262
1-[4-chloro-3-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-N-methylmethanamine
CID 171392314
(2R)-N-(4-methylphenyl)-2-(4-phenylpyrazol-1-yl)propanamide
CID 124938415

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-4-(4-methylphenyl)pyrazole;ethane?
The IUPAC name of 1-(difluoromethyl)-4-(4-methylphenyl)pyrazole;ethane (CID 178061150) is 1-(difluoromethyl)-4-(4-methylphenyl)pyrazole;ethane.
What is the SMILES notation for 1-(difluoromethyl)-4-(4-methylphenyl)pyrazole;ethane?
The canonical SMILES for 1-(difluoromethyl)-4-(4-methylphenyl)pyrazole;ethane is CC.CC.Cc1ccc(-c2cnn(C(F)F)c2)cc1.
What is the InChIKey of 1-(difluoromethyl)-4-(4-methylphenyl)pyrazole;ethane?
The InChIKey is FGLLAJXQYVJDRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2.2C2H6/c1-8-2-4-9(5-3-8)10-6-14-15(7-10)11(12)13;2*1-2/h2-7,11H,1H3;2*1-2H3.
What are the key properties of 1-(difluoromethyl)-4-(4-methylphenyl)pyrazole;ethane?
1-(difluoromethyl)-4-(4-methylphenyl)pyrazole;ethane has a molecular weight of 268.35 g/mol, XLogP of 5.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-4-(4-methylphenyl)pyrazole;ethane is sourced from PubChem (CID 178061150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).