3-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]propan-1-ol

C12H12F2N2O — CID 89488430

IUPAC3-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]propan-1-ol
SMILESOCCCc1cc(-c2ccc(F)c(F)c2)n[nH]1
InChIInChI=1S/C12H12F2N2O/c13-10-4-3-8(6-11(10)14)12-7-9(15-16-12)2-1-5-17/h3-4,6-7,17H,1-2,5H2,(H,15,16)
InChIKeyPAKVMYKHVZJZJM-UHFFFAOYSA-N
MW238.24 g/mol
LogP2.28
Rot. Bonds4

About 3-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]propan-1-ol

3-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]propan-1-ol (PubChem CID 89488430) has the molecular formula C12H12F2N2O and a molecular weight of 238.24 g/mol. Its IUPAC name is 3-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]propan-1-ol.

Molecular Properties

Compound Name3-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]propan-1-ol
PubChem CID89488430
Molecular FormulaC12H12F2N2O
Molecular Weight238.24 g/mol
Exact Mass238.09
IUPAC Name3-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]propan-1-ol
SMILESOCCCc1cc(-c2ccc(F)c(F)c2)n[nH]1
InChIInChI=1S/C12H12F2N2O/c13-10-4-3-8(6-11(10)14)12-7-9(15-16-12)2-1-5-17/h3-4,6-7,17H,1-2,5H2,(H,15,16)
InChIKeyPAKVMYKHVZJZJM-UHFFFAOYSA-N
XLogP2.28
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 871478
5-(Heptafluoropropyl)-3-phenyl-1H-pyrazole
CID 2774948
3-(4-Fluorophenyl)-5-(trifluoromethyl)-1H-pyrazole
CID 762931
5-(1,1,2,2,3,3,4,4-octafluorobutyl)-3-phenyl-1H-pyrazole
CID 2249931
3,5-bis(4-fluorophenyl)-1H-pyrazole
CID 16105479
3-(4-fluorophenyl)-5-(1,1,2,2-tetrafluoroethyl)-1H-pyrazole
CID 921372
3-(4-ethylphenyl)-5-(oxan-4-yl)-1H-pyrazole
CID 23656792
3-(Nonafluorobutyl)-5-phenyl-1H-pyrazole
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CID 2782570

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]propan-1-ol?
The IUPAC name of 3-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]propan-1-ol (CID 89488430) is 3-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]propan-1-ol.
What is the SMILES notation for 3-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]propan-1-ol?
The canonical SMILES for 3-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]propan-1-ol is OCCCc1cc(-c2ccc(F)c(F)c2)n[nH]1.
What is the InChIKey of 3-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]propan-1-ol?
The InChIKey is PAKVMYKHVZJZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O/c13-10-4-3-8(6-11(10)14)12-7-9(15-16-12)2-1-5-17/h3-4,6-7,17H,1-2,5H2,(H,15,16).
What are the key properties of 3-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]propan-1-ol?
3-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]propan-1-ol has a molecular weight of 238.24 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]propan-1-ol is sourced from PubChem (CID 89488430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).