4-[(4-bromo-1,5-dimethylpyrazol-3-yl)methoxy]-3,3-difluorobutan-1-ol

C10H15BrF2N2O2 — CID 142591110

IUPAC4-[(4-bromo-1,5-dimethylpyrazol-3-yl)methoxy]-3,3-difluorobutan-1-ol
SMILESCc1c(Br)c(COCC(F)(F)CCO)nn1C
InChIInChI=1S/C10H15BrF2N2O2/c1-7-9(11)8(14-15(7)2)5-17-6-10(12,13)3-4-16/h16H,3-6H2,1-2H3
InChIKeyQAQMUSCHPHUPDN-UHFFFAOYSA-N
MW313.14 g/mol
LogP2.03
Rot. Bonds6

About 4-[(4-bromo-1,5-dimethylpyrazol-3-yl)methoxy]-3,3-difluorobutan-1-ol

4-[(4-bromo-1,5-dimethylpyrazol-3-yl)methoxy]-3,3-difluorobutan-1-ol (PubChem CID 142591110) has the molecular formula C10H15BrF2N2O2 and a molecular weight of 313.14 g/mol. Its IUPAC name is 4-[(4-bromo-1,5-dimethylpyrazol-3-yl)methoxy]-3,3-difluorobutan-1-ol.

Molecular Properties

Compound Name4-[(4-bromo-1,5-dimethylpyrazol-3-yl)methoxy]-3,3-difluorobutan-1-ol
PubChem CID142591110
Molecular FormulaC10H15BrF2N2O2
Molecular Weight313.14 g/mol
Exact Mass312.03
IUPAC Name4-[(4-bromo-1,5-dimethylpyrazol-3-yl)methoxy]-3,3-difluorobutan-1-ol
SMILESCc1c(Br)c(COCC(F)(F)CCO)nn1C
InChIInChI=1S/C10H15BrF2N2O2/c1-7-9(11)8(14-15(7)2)5-17-6-10(12,13)3-4-16/h16H,3-6H2,1-2H3
InChIKeyQAQMUSCHPHUPDN-UHFFFAOYSA-N
XLogP2.03
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.14
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-bromo-1,3-dimethyl-1H-pyrazol-5-yl)methanol
CID 65858978
(4-bromo-1,5-dimethyl-1H-pyrazol-3-yl)methanol
CID 68938159
3-Bromo-2-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
CID 154722047
3-Bromo-2-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-4-ol
CID 154722910
[4-Bromo-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanol
CID 70851934
1-[4-Bromo-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]ethanol
CID 71055438
[4-Bromo-1-(2,2-difluoroethyl)-3-methylpyrazol-5-yl]-methoxymethanol
CID 123197087
[4-Bromo-5-methyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol
CID 132143708
[4-Bromo-2-methyl-5-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol
CID 132143946
[4-Bromo-5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol
CID 132161578
[4-Bromo-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanol
CID 132162058
4-Bromo-3-(2,2-difluoropent-4-enoxymethyl)-5-ethyl-1-methylpyrazole
CID 142591074

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromo-1,5-dimethylpyrazol-3-yl)methoxy]-3,3-difluorobutan-1-ol?
The IUPAC name of 4-[(4-bromo-1,5-dimethylpyrazol-3-yl)methoxy]-3,3-difluorobutan-1-ol (CID 142591110) is 4-[(4-bromo-1,5-dimethylpyrazol-3-yl)methoxy]-3,3-difluorobutan-1-ol.
What is the SMILES notation for 4-[(4-bromo-1,5-dimethylpyrazol-3-yl)methoxy]-3,3-difluorobutan-1-ol?
The canonical SMILES for 4-[(4-bromo-1,5-dimethylpyrazol-3-yl)methoxy]-3,3-difluorobutan-1-ol is Cc1c(Br)c(COCC(F)(F)CCO)nn1C.
What is the InChIKey of 4-[(4-bromo-1,5-dimethylpyrazol-3-yl)methoxy]-3,3-difluorobutan-1-ol?
The InChIKey is QAQMUSCHPHUPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrF2N2O2/c1-7-9(11)8(14-15(7)2)5-17-6-10(12,13)3-4-16/h16H,3-6H2,1-2H3.
What are the key properties of 4-[(4-bromo-1,5-dimethylpyrazol-3-yl)methoxy]-3,3-difluorobutan-1-ol?
4-[(4-bromo-1,5-dimethylpyrazol-3-yl)methoxy]-3,3-difluorobutan-1-ol has a molecular weight of 313.14 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromo-1,5-dimethylpyrazol-3-yl)methoxy]-3,3-difluorobutan-1-ol is sourced from PubChem (CID 142591110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).