[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-pyridin-4-ylmethanol

C12H14BrN3O2 — CID 114634365

IUPAC[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-pyridin-4-ylmethanol
SMILESCOCCn1ncc(Br)c1C(O)c1ccncc1
InChIInChI=1S/C12H14BrN3O2/c1-18-7-6-16-11(10(13)8-15-16)12(17)9-2-4-14-5-3-9/h2-5,8,12,17H,6-7H2,1H3
InChIKeyRNYXANRJIGYUBD-UHFFFAOYSA-N
MW312.17 g/mol
LogP1.77
Rot. Bonds5

About [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-pyridin-4-ylmethanol

[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-pyridin-4-ylmethanol (PubChem CID 114634365) has the molecular formula C12H14BrN3O2 and a molecular weight of 312.17 g/mol. Its IUPAC name is [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-pyridin-4-ylmethanol.

Molecular Properties

Compound Name[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-pyridin-4-ylmethanol
PubChem CID114634365
Molecular FormulaC12H14BrN3O2
Molecular Weight312.17 g/mol
Exact Mass311.03
IUPAC Name[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-pyridin-4-ylmethanol
SMILESCOCCn1ncc(Br)c1C(O)c1ccncc1
InChIInChI=1S/C12H14BrN3O2/c1-18-7-6-16-11(10(13)8-15-16)12(17)9-2-4-14-5-3-9/h2-5,8,12,17H,6-7H2,1H3
InChIKeyRNYXANRJIGYUBD-UHFFFAOYSA-N
XLogP1.77
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.17
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-[4-(difluoromethyl)phenyl]methanol
CID 114637618
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-pyrimidin-4-ylmethanol
CID 114635767
N-[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-pyridin-4-ylmethyl]ethanamine
CID 114647235
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(1-ethylpyrazol-4-yl)methanol
CID 114636984
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(5-bromothiophen-2-yl)methanol
CID 114634240
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2-bromo-4-methylphenyl)methanol
CID 114637670
[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-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(1-methylimidazol-4-yl)methanol
CID 107978687
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-methylpropane-1,2-diol
CID 103449119
[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

Frequently Asked Questions

What is the IUPAC name of [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-pyridin-4-ylmethanol?
The IUPAC name of [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-pyridin-4-ylmethanol (CID 114634365) is [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-pyridin-4-ylmethanol.
What is the SMILES notation for [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-pyridin-4-ylmethanol?
The canonical SMILES for [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-pyridin-4-ylmethanol is COCCn1ncc(Br)c1C(O)c1ccncc1.
What is the InChIKey of [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-pyridin-4-ylmethanol?
The InChIKey is RNYXANRJIGYUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O2/c1-18-7-6-16-11(10(13)8-15-16)12(17)9-2-4-14-5-3-9/h2-5,8,12,17H,6-7H2,1H3.
What are the key properties of [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-pyridin-4-ylmethanol?
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-pyridin-4-ylmethanol has a molecular weight of 312.17 g/mol, XLogP of 1.77, 5 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]-pyridin-4-ylmethanol is sourced from PubChem (CID 114634365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).