[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2-methoxy-4-methylphenyl)methanol

C15H19BrN2O3 — CID 106790609

IUPAC[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2-methoxy-4-methylphenyl)methanol
SMILESCOCCn1ncc(Br)c1C(O)c1ccc(C)cc1OC
InChIInChI=1S/C15H19BrN2O3/c1-10-4-5-11(13(8-10)21-3)15(19)14-12(16)9-17-18(14)6-7-20-2/h4-5,8-9,15,19H,6-7H2,1-3H3
InChIKeyGPXRLYCAAHJLDY-UHFFFAOYSA-N
MW355.23 g/mol
LogP2.69
Rot. Bonds6

About [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2-methoxy-4-methylphenyl)methanol

[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2-methoxy-4-methylphenyl)methanol (PubChem CID 106790609) has the molecular formula C15H19BrN2O3 and a molecular weight of 355.23 g/mol. Its IUPAC name is [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2-methoxy-4-methylphenyl)methanol.

Molecular Properties

Compound Name[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2-methoxy-4-methylphenyl)methanol
PubChem CID106790609
Molecular FormulaC15H19BrN2O3
Molecular Weight355.23 g/mol
Exact Mass354.06
IUPAC Name[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2-methoxy-4-methylphenyl)methanol
SMILESCOCCn1ncc(Br)c1C(O)c1ccc(C)cc1OC
InChIInChI=1S/C15H19BrN2O3/c1-10-4-5-11(13(8-10)21-3)15(19)14-12(16)9-17-18(14)6-7-20-2/h4-5,8-9,15,19H,6-7H2,1-3H3
InChIKeyGPXRLYCAAHJLDY-UHFFFAOYSA-N
XLogP2.69
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.23
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2-bromo-4-methylphenyl)methanol
CID 114637670
(4-bromo-1-propylpyrazol-5-yl)-(2-methoxy-5-methylphenyl)methanol
CID 115835105
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(4-chloro-2-fluorophenyl)methanol
CID 114643608
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-pyridin-4-ylmethanol
CID 114634365
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-(2,5-dimethylphenyl)ethanol
CID 115835849
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-[4-(difluoromethyl)phenyl]methanol
CID 114637618
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanol
CID 114638085
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2-chloro-3-fluorophenyl)methanol
CID 115835806
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-1-(2,5-dimethylphenyl)-N-methylmethanamine
CID 105043001
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(4,5-dibromothiophen-2-yl)methanol
CID 115835804
[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

Frequently Asked Questions

What is the IUPAC name of [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2-methoxy-4-methylphenyl)methanol?
The IUPAC name of [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2-methoxy-4-methylphenyl)methanol (CID 106790609) is [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2-methoxy-4-methylphenyl)methanol.
What is the SMILES notation for [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2-methoxy-4-methylphenyl)methanol?
The canonical SMILES for [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2-methoxy-4-methylphenyl)methanol is COCCn1ncc(Br)c1C(O)c1ccc(C)cc1OC.
What is the InChIKey of [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2-methoxy-4-methylphenyl)methanol?
The InChIKey is GPXRLYCAAHJLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O3/c1-10-4-5-11(13(8-10)21-3)15(19)14-12(16)9-17-18(14)6-7-20-2/h4-5,8-9,15,19H,6-7H2,1-3H3.
What are the key properties of [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2-methoxy-4-methylphenyl)methanol?
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2-methoxy-4-methylphenyl)methanol has a molecular weight of 355.23 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2-methoxy-4-methylphenyl)methanol is sourced from PubChem (CID 106790609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).