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

C11H13BrN4O2 — CID 114635767

IUPAC[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-pyrimidin-4-ylmethanol
SMILESCOCCn1ncc(Br)c1C(O)c1ccncn1
InChIInChI=1S/C11H13BrN4O2/c1-18-5-4-16-10(8(12)6-15-16)11(17)9-2-3-13-7-14-9/h2-3,6-7,11,17H,4-5H2,1H3
InChIKeyFIQIRLMMFCHTIA-UHFFFAOYSA-N
MW313.15 g/mol
LogP1.16
Rot. Bonds5

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

[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-pyrimidin-4-ylmethanol (PubChem CID 114635767) has the molecular formula C11H13BrN4O2 and a molecular weight of 313.15 g/mol. Its IUPAC name is [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-pyrimidin-4-ylmethanol.

Molecular Properties

Compound Name[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-pyrimidin-4-ylmethanol
PubChem CID114635767
Molecular FormulaC11H13BrN4O2
Molecular Weight313.15 g/mol
Exact Mass312.02
IUPAC Name[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-pyrimidin-4-ylmethanol
SMILESCOCCn1ncc(Br)c1C(O)c1ccncn1
InChIInChI=1S/C11H13BrN4O2/c1-18-5-4-16-10(8(12)6-15-16)11(17)9-2-3-13-7-14-9/h2-3,6-7,11,17H,4-5H2,1H3
InChIKeyFIQIRLMMFCHTIA-UHFFFAOYSA-N
XLogP1.16
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.15
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-pyrimidin-4-ylmethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-bromo-1-ethylpyrazol-5-yl)-pyrimidin-4-ylmethanol
CID 114635769
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-pyridin-4-ylmethanol
CID 114634365
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(1-methylimidazol-4-yl)methanol
CID 107978687
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-[4-(difluoromethyl)phenyl]methanol
CID 114637618
[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-chloro-1-propylpyrazol-5-yl)-pyrimidin-4-ylmethanol
CID 114635773
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(4,5-dibromothiophen-2-yl)methanol
CID 115835804
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanol
CID 114638085
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-methylpropane-1,2-diol
CID 103449119
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2-methoxy-4-methylphenyl)methanol
CID 106790609

Frequently Asked Questions

What is the IUPAC name of [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-pyrimidin-4-ylmethanol?
The IUPAC name of [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-pyrimidin-4-ylmethanol (CID 114635767) is [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-pyrimidin-4-ylmethanol.
What is the SMILES notation for [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-pyrimidin-4-ylmethanol?
The canonical SMILES for [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-pyrimidin-4-ylmethanol is COCCn1ncc(Br)c1C(O)c1ccncn1.
What is the InChIKey of [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-pyrimidin-4-ylmethanol?
The InChIKey is FIQIRLMMFCHTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4O2/c1-18-5-4-16-10(8(12)6-15-16)11(17)9-2-3-13-7-14-9/h2-3,6-7,11,17H,4-5H2,1H3.
What are the key properties of [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-pyrimidin-4-ylmethanol?
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-pyrimidin-4-ylmethanol has a molecular weight of 313.15 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-pyrimidin-4-ylmethanol is sourced from PubChem (CID 114635767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).