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

C10H16F2N2O2 — CID 141407055

IUPAC2-[3-(difluoromethyl)-1-methylpyrazol-4-yl]pentane-1,3-diol
SMILESCCC(O)C(CO)c1cn(C)nc1C(F)F
InChIInChI=1S/C10H16F2N2O2/c1-3-8(16)7(5-15)6-4-14(2)13-9(6)10(11)12/h4,7-8,10,15-16H,3,5H2,1-2H3
InChIKeyJIGCMJACEWRVLM-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.20
Rot. Bonds5

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

2-[3-(difluoromethyl)-1-methylpyrazol-4-yl]pentane-1,3-diol (PubChem CID 141407055) 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]pentane-1,3-diol.

Molecular Properties

Compound Name2-[3-(difluoromethyl)-1-methylpyrazol-4-yl]pentane-1,3-diol
PubChem CID141407055
Molecular FormulaC10H16F2N2O2
Molecular Weight234.25 g/mol
Exact Mass234.12
IUPAC Name2-[3-(difluoromethyl)-1-methylpyrazol-4-yl]pentane-1,3-diol
SMILESCCC(O)C(CO)c1cn(C)nc1C(F)F
InChIInChI=1S/C10H16F2N2O2/c1-3-8(16)7(5-15)6-4-14(2)13-9(6)10(11)12/h4,7-8,10,15-16H,3,5H2,1-2H3
InChIKeyJIGCMJACEWRVLM-UHFFFAOYSA-N
XLogP1.20
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-2-ethyl-1-(4-fluoro-1-methylpyrazol-5-yl)butan-1-ol
CID 139090699
2-[1-Cyclopentyl-3-(trifluoromethyl)pyrazol-4-yl]ethanol
CID 75484875
2-[1-Pent-3-ynyl-3-(trifluoromethyl)pyrazol-4-yl]ethanol
CID 99700158
(E)-1-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]but-2-en-1-ol
CID 101394454
2-Ethyl-1-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]butan-1-ol
CID 102385481
2-[1-(2-Hydroxyethyl)-3-(trifluoromethyl)pyrazol-4-yl]butanoic acid
CID 66937928
2-[1-(2-Hydroxyethyl)-5-(trifluoromethyl)pyrazol-4-yl]butanoic acid
CID 66938138
2-(1-Isopropyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)ethanol
CID 118344007
1-[4-Methyl-1-(trifluoromethyl)pyrazol-3-yl]ethanol
CID 130360620
1-(1,4-Dimethyl-1h-pyrazol-5-yl)-2,2,2-trifluoroethan-1-ol
CID 130527377
2-[3-(Difluoromethyl)-1-ethylpyrazol-4-yl]-2-methylpentane-1,3-diol
CID 141407050
2-[3-(Difluoromethyl)-1-methylpyrazol-4-yl]-2-methylbutane-1,3-diol
CID 141407051

Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethyl)-1-methylpyrazol-4-yl]pentane-1,3-diol?
The IUPAC name of 2-[3-(difluoromethyl)-1-methylpyrazol-4-yl]pentane-1,3-diol (CID 141407055) is 2-[3-(difluoromethyl)-1-methylpyrazol-4-yl]pentane-1,3-diol.
What is the SMILES notation for 2-[3-(difluoromethyl)-1-methylpyrazol-4-yl]pentane-1,3-diol?
The canonical SMILES for 2-[3-(difluoromethyl)-1-methylpyrazol-4-yl]pentane-1,3-diol is CCC(O)C(CO)c1cn(C)nc1C(F)F.
What is the InChIKey of 2-[3-(difluoromethyl)-1-methylpyrazol-4-yl]pentane-1,3-diol?
The InChIKey is JIGCMJACEWRVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N2O2/c1-3-8(16)7(5-15)6-4-14(2)13-9(6)10(11)12/h4,7-8,10,15-16H,3,5H2,1-2H3.
What are the key properties of 2-[3-(difluoromethyl)-1-methylpyrazol-4-yl]pentane-1,3-diol?
2-[3-(difluoromethyl)-1-methylpyrazol-4-yl]pentane-1,3-diol has a molecular weight of 234.25 g/mol, XLogP of 1.20, 5 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]pentane-1,3-diol is sourced from PubChem (CID 141407055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).