3-[4-(difluoromethyl)pyrazol-1-yl]propan-1-ol

C7H10F2N2O — CID 134820997

IUPAC3-[4-(difluoromethyl)pyrazol-1-yl]propan-1-ol
SMILESOCCCn1cc(C(F)F)cn1
InChIInChI=1S/C7H10F2N2O/c8-7(9)6-4-10-11(5-6)2-1-3-12/h4-5,7,12H,1-3H2
InChIKeyJGXVONILUJCIFD-UHFFFAOYSA-N
MW176.17 g/mol
LogP1.20
Rot. Bonds4

About 3-[4-(difluoromethyl)pyrazol-1-yl]propan-1-ol

3-[4-(difluoromethyl)pyrazol-1-yl]propan-1-ol (PubChem CID 134820997) has the molecular formula C7H10F2N2O and a molecular weight of 176.17 g/mol. Its IUPAC name is 3-[4-(difluoromethyl)pyrazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4-(difluoromethyl)pyrazol-1-yl]propan-1-ol
PubChem CID134820997
Molecular FormulaC7H10F2N2O
Molecular Weight176.17 g/mol
Exact Mass176.08
IUPAC Name3-[4-(difluoromethyl)pyrazol-1-yl]propan-1-ol
SMILESOCCCn1cc(C(F)F)cn1
InChIInChI=1S/C7H10F2N2O/c8-7(9)6-4-10-11(5-6)2-1-3-12/h4-5,7,12H,1-3H2
InChIKeyJGXVONILUJCIFD-UHFFFAOYSA-N
XLogP1.20
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(difluoromethyl)pyrazol-1-yl]ethanamine
CID 84731494
3-(4-methoxypyrazol-1-yl)propan-1-ol
CID 130511177
2-(4-butan-2-ylpyrazol-1-yl)ethanol
CID 146424198
4-(difluoromethyl)-1-[2-(3-methylphenyl)ethyl]pyrazole
CID 167892385
2,2,2-trifluoro-1-(1-pentylpyrazol-4-yl)ethanol
CID 134509611
1-(4,4-difluorobutyl)pyrazol-4-amine
CID 165472720
1-(3-fluoropropyl)pyrazol-4-ol
CID 116799422
1-(1-butylpyrazol-4-yl)propan-1-amine
CID 62731708
2-ethyl-1-(1-propylpyrazol-4-yl)butan-1-ol
CID 63895086
methanol;4-propan-2-yl-1-propylpyrazole
CID 164911743
2-(4-chloropyrazol-1-yl)ethanol
CID 7172186
N-methyl-1-[1-(4,4,4-trifluorobutyl)pyrazol-4-yl]ethanamine
CID 115518233

Frequently Asked Questions

What is the IUPAC name of 3-[4-(difluoromethyl)pyrazol-1-yl]propan-1-ol?
The IUPAC name of 3-[4-(difluoromethyl)pyrazol-1-yl]propan-1-ol (CID 134820997) is 3-[4-(difluoromethyl)pyrazol-1-yl]propan-1-ol.
What is the SMILES notation for 3-[4-(difluoromethyl)pyrazol-1-yl]propan-1-ol?
The canonical SMILES for 3-[4-(difluoromethyl)pyrazol-1-yl]propan-1-ol is OCCCn1cc(C(F)F)cn1.
What is the InChIKey of 3-[4-(difluoromethyl)pyrazol-1-yl]propan-1-ol?
The InChIKey is JGXVONILUJCIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N2O/c8-7(9)6-4-10-11(5-6)2-1-3-12/h4-5,7,12H,1-3H2.
What are the key properties of 3-[4-(difluoromethyl)pyrazol-1-yl]propan-1-ol?
3-[4-(difluoromethyl)pyrazol-1-yl]propan-1-ol has a molecular weight of 176.17 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(difluoromethyl)pyrazol-1-yl]propan-1-ol is sourced from PubChem (CID 134820997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).