[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-[4-(difluoromethyl)phenyl]methanol

C14H15BrF2N2O2 — CID 114637618

IUPAC[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-[4-(difluoromethyl)phenyl]methanol
SMILESCOCCn1ncc(Br)c1C(O)c1ccc(C(F)F)cc1
InChIInChI=1S/C14H15BrF2N2O2/c1-21-7-6-19-12(11(15)8-18-19)13(20)9-2-4-10(5-3-9)14(16)17/h2-5,8,13-14,20H,6-7H2,1H3
InChIKeyIAZJTCXAMOBPPC-UHFFFAOYSA-N
MW361.19 g/mol
LogP3.31
Rot. Bonds6

About [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-[4-(difluoromethyl)phenyl]methanol

[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-[4-(difluoromethyl)phenyl]methanol (PubChem CID 114637618) has the molecular formula C14H15BrF2N2O2 and a molecular weight of 361.19 g/mol. Its IUPAC name is [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-[4-(difluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-[4-(difluoromethyl)phenyl]methanol
PubChem CID114637618
Molecular FormulaC14H15BrF2N2O2
Molecular Weight361.19 g/mol
Exact Mass360.03
IUPAC Name[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-[4-(difluoromethyl)phenyl]methanol
SMILESCOCCn1ncc(Br)c1C(O)c1ccc(C(F)F)cc1
InChIInChI=1S/C14H15BrF2N2O2/c1-21-7-6-19-12(11(15)8-18-19)13(20)9-2-4-10(5-3-9)14(16)17/h2-5,8,13-14,20H,6-7H2,1H3
InChIKeyIAZJTCXAMOBPPC-UHFFFAOYSA-N
XLogP3.31
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.19
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-pyridin-4-ylmethanol
CID 114634365
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(1-ethylpyrazol-4-yl)methanol
CID 114636984
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(1-methylimidazol-4-yl)methanol
CID 107978687
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(5-bromothiophen-2-yl)methanol
CID 114634240
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-pyrimidin-4-ylmethanol
CID 114635767
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2-bromo-4-methylphenyl)methanol
CID 114637670
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(4-chloro-2-fluorophenyl)methanol
CID 114643608
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2-chloro-3-fluorophenyl)methanol
CID 115835806
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2-methoxy-4-methylphenyl)methanol
CID 106790609
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(4,5-dibromothiophen-2-yl)methanol
CID 115835804
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-fluorophenyl)methanol
CID 114634599
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-methylpropane-1,2-diol
CID 103449119

Frequently Asked Questions

What is the IUPAC name of [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-[4-(difluoromethyl)phenyl]methanol?
The IUPAC name of [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-[4-(difluoromethyl)phenyl]methanol (CID 114637618) is [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-[4-(difluoromethyl)phenyl]methanol.
What is the SMILES notation for [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-[4-(difluoromethyl)phenyl]methanol?
The canonical SMILES for [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-[4-(difluoromethyl)phenyl]methanol is COCCn1ncc(Br)c1C(O)c1ccc(C(F)F)cc1.
What is the InChIKey of [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-[4-(difluoromethyl)phenyl]methanol?
The InChIKey is IAZJTCXAMOBPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrF2N2O2/c1-21-7-6-19-12(11(15)8-18-19)13(20)9-2-4-10(5-3-9)14(16)17/h2-5,8,13-14,20H,6-7H2,1H3.
What are the key properties of [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-[4-(difluoromethyl)phenyl]methanol?
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-[4-(difluoromethyl)phenyl]methanol has a molecular weight of 361.19 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-[4-(difluoromethyl)phenyl]methanol is sourced from PubChem (CID 114637618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).