2-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-2-methylbutane-1,3-diol

C10H16F2N2O2 — CID 141407051

IUPAC2-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-2-methylbutane-1,3-diol
SMILESCC(O)C(C)(CO)c1cn(C)nc1C(F)F
InChIInChI=1S/C10H16F2N2O2/c1-6(16)10(2,5-15)7-4-14(3)13-8(7)9(11)12/h4,6,9,15-16H,5H2,1-3H3
InChIKeyJXWRWVOFZFNHHY-UHFFFAOYSA-N
MW234.25 g/mol
LogP0.99
Rot. Bonds4

About 2-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-2-methylbutane-1,3-diol

2-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-2-methylbutane-1,3-diol (PubChem CID 141407051) has the molecular formula C10H16F2N2O2 and a molecular weight of 234.25 g/mol. Its IUPAC name is 2-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-2-methylbutane-1,3-diol.

Molecular Properties

Compound Name2-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-2-methylbutane-1,3-diol
PubChem CID141407051
Molecular FormulaC10H16F2N2O2
Molecular Weight234.25 g/mol
Exact Mass234.12
IUPAC Name2-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-2-methylbutane-1,3-diol
SMILESCC(O)C(C)(CO)c1cn(C)nc1C(F)F
InChIInChI=1S/C10H16F2N2O2/c1-6(16)10(2,5-15)7-4-14(3)13-8(7)9(11)12/h4,6,9,15-16H,5H2,1-3H3
InChIKeyJXWRWVOFZFNHHY-UHFFFAOYSA-N
XLogP0.99
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-Ethyl-1-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]butan-1-ol
CID 102385481
3-(Difluoromethyl)-1-methyl-4-(3-methylpentan-3-yl)pyrazole
CID 57647569
2-(1-Isopropyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)ethanol
CID 118344007
1-[4-Methyl-1-(trifluoromethyl)pyrazol-3-yl]ethanol
CID 130360620
2-[3-(Difluoromethyl)-1-ethylpyrazol-4-yl]-2-methylpentane-1,3-diol
CID 141407050
2-[3-(Difluoromethyl)-1-ethylpyrazol-4-yl]-2-methylhexane-1,3-diol
CID 141407052
2-[3-(Difluoromethyl)-1-methylpyrazol-4-yl]heptane-1,3-diol
CID 141407053
2-[3-(Difluoromethyl)-1-methylpyrazol-4-yl]pentane-1,3-diol
CID 141407055
2-[3-(Difluoromethyl)-1-methylpyrazol-4-yl]butane-1,3-diol
CID 141407056
2-[3-(Difluoromethyl)-1-methylpyrazol-4-yl]hexane-1,3-diol
CID 141407057
2-[3-(Difluoromethyl)-1-ethylpyrazol-4-yl]pentane-1,3-diol
CID 141407058
2-[3-(Difluoromethyl)-1-methylpyrazol-4-yl]-2-methylheptane-1,3-diol
CID 141407059

Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-2-methylbutane-1,3-diol?
The IUPAC name of 2-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-2-methylbutane-1,3-diol (CID 141407051) is 2-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-2-methylbutane-1,3-diol.
What is the SMILES notation for 2-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-2-methylbutane-1,3-diol?
The canonical SMILES for 2-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-2-methylbutane-1,3-diol is CC(O)C(C)(CO)c1cn(C)nc1C(F)F.
What is the InChIKey of 2-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-2-methylbutane-1,3-diol?
The InChIKey is JXWRWVOFZFNHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N2O2/c1-6(16)10(2,5-15)7-4-14(3)13-8(7)9(11)12/h4,6,9,15-16H,5H2,1-3H3.
What are the key properties of 2-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-2-methylbutane-1,3-diol?
2-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-2-methylbutane-1,3-diol has a molecular weight of 234.25 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-2-methylbutane-1,3-diol is sourced from PubChem (CID 141407051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).