(4-bromo-1-ethylpyrazol-5-yl)-pyrimidin-4-ylmethanol

C10H11BrN4O — CID 114635769

IUPAC(4-bromo-1-ethylpyrazol-5-yl)-pyrimidin-4-ylmethanol
SMILESCCn1ncc(Br)c1C(O)c1ccncn1
InChIInChI=1S/C10H11BrN4O/c1-2-15-9(7(11)5-14-15)10(16)8-3-4-12-6-13-8/h3-6,10,16H,2H2,1H3
InChIKeyHQHRWSBLFNQDSE-UHFFFAOYSA-N
MW283.13 g/mol
LogP1.54
Rot. Bonds3

About (4-bromo-1-ethylpyrazol-5-yl)-pyrimidin-4-ylmethanol

(4-bromo-1-ethylpyrazol-5-yl)-pyrimidin-4-ylmethanol (PubChem CID 114635769) has the molecular formula C10H11BrN4O and a molecular weight of 283.13 g/mol. Its IUPAC name is (4-bromo-1-ethylpyrazol-5-yl)-pyrimidin-4-ylmethanol.

Molecular Properties

Compound Name(4-bromo-1-ethylpyrazol-5-yl)-pyrimidin-4-ylmethanol
PubChem CID114635769
Molecular FormulaC10H11BrN4O
Molecular Weight283.13 g/mol
Exact Mass282.01
IUPAC Name(4-bromo-1-ethylpyrazol-5-yl)-pyrimidin-4-ylmethanol
SMILESCCn1ncc(Br)c1C(O)c1ccncn1
InChIInChI=1S/C10H11BrN4O/c1-2-15-9(7(11)5-14-15)10(16)8-3-4-12-6-13-8/h3-6,10,16H,2H2,1H3
InChIKeyHQHRWSBLFNQDSE-UHFFFAOYSA-N
XLogP1.54
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.13
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-pyrimidin-4-ylmethanol
CID 114635767
(4-bromo-1-ethylpyrazol-5-yl)-quinoxalin-2-ylmethanol
CID 107357737
(4-chloro-1-propylpyrazol-5-yl)-pyrimidin-4-ylmethanol
CID 114635773
(4-bromo-1-ethylpyrazol-5-yl)-phenylmethanol
CID 114634339
(4-bromo-1-ethylpyrazol-5-yl)-(2-bromophenyl)methanol
CID 114634896
(4-bromo-1-ethylpyrazol-5-yl)-(2,5-dibromophenyl)methanol
CID 115834800
(4-bromo-1-ethylpyrazol-5-yl)-[4-(methoxymethyl)phenyl]methanol
CID 114636384
(4-bromo-1-ethylpyrazol-5-yl)-(2,4,6-trimethylphenyl)methanol
CID 114634828
(2-bromo-4-chlorophenyl)-(4-bromo-1-ethylpyrazol-5-yl)methanol
CID 114637363
(4-bromo-1-ethylpyrazol-5-yl)-(3-methylfuran-2-yl)methanol
CID 114638472
(5-bromo-2-pyridinyl)-(4-chloro-1-ethylpyrazol-5-yl)methanol
CID 114638191
2-amino-1-(4-bromo-1-ethylpyrazol-5-yl)ethanol
CID 114637716

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-ethylpyrazol-5-yl)-pyrimidin-4-ylmethanol?
The IUPAC name of (4-bromo-1-ethylpyrazol-5-yl)-pyrimidin-4-ylmethanol (CID 114635769) is (4-bromo-1-ethylpyrazol-5-yl)-pyrimidin-4-ylmethanol.
What is the SMILES notation for (4-bromo-1-ethylpyrazol-5-yl)-pyrimidin-4-ylmethanol?
The canonical SMILES for (4-bromo-1-ethylpyrazol-5-yl)-pyrimidin-4-ylmethanol is CCn1ncc(Br)c1C(O)c1ccncn1.
What is the InChIKey of (4-bromo-1-ethylpyrazol-5-yl)-pyrimidin-4-ylmethanol?
The InChIKey is HQHRWSBLFNQDSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN4O/c1-2-15-9(7(11)5-14-15)10(16)8-3-4-12-6-13-8/h3-6,10,16H,2H2,1H3.
What are the key properties of (4-bromo-1-ethylpyrazol-5-yl)-pyrimidin-4-ylmethanol?
(4-bromo-1-ethylpyrazol-5-yl)-pyrimidin-4-ylmethanol has a molecular weight of 283.13 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-ethylpyrazol-5-yl)-pyrimidin-4-ylmethanol is sourced from PubChem (CID 114635769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).