(4-bromo-1-ethylpyrazol-5-yl)-(6-methoxypyrimidin-4-yl)methanone

C11H11BrN4O2 — CID 102950211

IUPAC(4-bromo-1-ethylpyrazol-5-yl)-(6-methoxypyrimidin-4-yl)methanone
SMILESCCn1ncc(Br)c1C(=O)c1cc(OC)ncn1
InChIInChI=1S/C11H11BrN4O2/c1-3-16-10(7(12)5-15-16)11(17)8-4-9(18-2)14-6-13-8/h4-6H,3H2,1-2H3
InChIKeyVPCXPFDDYQAKOO-UHFFFAOYSA-N
MW311.14 g/mol
LogP1.70
Rot. Bonds4

About (4-bromo-1-ethylpyrazol-5-yl)-(6-methoxypyrimidin-4-yl)methanone

(4-bromo-1-ethylpyrazol-5-yl)-(6-methoxypyrimidin-4-yl)methanone (PubChem CID 102950211) has the molecular formula C11H11BrN4O2 and a molecular weight of 311.14 g/mol. Its IUPAC name is (4-bromo-1-ethylpyrazol-5-yl)-(6-methoxypyrimidin-4-yl)methanone.

Molecular Properties

Compound Name(4-bromo-1-ethylpyrazol-5-yl)-(6-methoxypyrimidin-4-yl)methanone
PubChem CID102950211
Molecular FormulaC11H11BrN4O2
Molecular Weight311.14 g/mol
Exact Mass310.01
IUPAC Name(4-bromo-1-ethylpyrazol-5-yl)-(6-methoxypyrimidin-4-yl)methanone
SMILESCCn1ncc(Br)c1C(=O)c1cc(OC)ncn1
InChIInChI=1S/C11H11BrN4O2/c1-3-16-10(7(12)5-15-16)11(17)8-4-9(18-2)14-6-13-8/h4-6H,3H2,1-2H3
InChIKeyVPCXPFDDYQAKOO-UHFFFAOYSA-N
XLogP1.70
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.14
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-bromo-1-ethylpyrazol-5-yl)-(6-methoxypyridazin-3-yl)methanone
CID 103373313
(4-bromo-1-ethylpyrazol-5-yl)-(2-methyl-1,3-thiazol-4-yl)methanone
CID 105130217
(4-bromo-1-ethylpyrazol-5-yl)-(5-chloro-2-pyridinyl)methanone
CID 114641629
(4-bromo-1-propylpyrazol-5-yl)-(6-methoxypyridazin-3-yl)methanone
CID 103373349
(4-bromo-1-ethylpyrazol-5-yl)-pyrimidin-2-ylmethanone
CID 114639327
1-(4-bromo-1-ethylpyrazol-5-yl)-2-methoxyethanone
CID 114639502
(4-bromo-1-ethylpyrazol-5-yl)-(3-bromophenyl)methanone
CID 114639062
(4-bromo-1-propylpyrazol-5-yl)-pyrimidin-4-ylmethanone
CID 114640203
1-(4-bromo-1-ethylpyrazol-5-yl)-4-methoxybutan-1-one
CID 114640394
(3-bromo-4-chlorophenyl)-(4-bromo-1-ethylpyrazol-5-yl)methanone
CID 114642070
(2-bromo-4-chlorophenyl)-(4-bromo-1-ethylpyrazol-5-yl)methanone
CID 107996691
6-methoxypyrimidine-4-carboxylic acid
CID 3300297

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-ethylpyrazol-5-yl)-(6-methoxypyrimidin-4-yl)methanone?
The IUPAC name of (4-bromo-1-ethylpyrazol-5-yl)-(6-methoxypyrimidin-4-yl)methanone (CID 102950211) is (4-bromo-1-ethylpyrazol-5-yl)-(6-methoxypyrimidin-4-yl)methanone.
What is the SMILES notation for (4-bromo-1-ethylpyrazol-5-yl)-(6-methoxypyrimidin-4-yl)methanone?
The canonical SMILES for (4-bromo-1-ethylpyrazol-5-yl)-(6-methoxypyrimidin-4-yl)methanone is CCn1ncc(Br)c1C(=O)c1cc(OC)ncn1.
What is the InChIKey of (4-bromo-1-ethylpyrazol-5-yl)-(6-methoxypyrimidin-4-yl)methanone?
The InChIKey is VPCXPFDDYQAKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4O2/c1-3-16-10(7(12)5-15-16)11(17)8-4-9(18-2)14-6-13-8/h4-6H,3H2,1-2H3.
What are the key properties of (4-bromo-1-ethylpyrazol-5-yl)-(6-methoxypyrimidin-4-yl)methanone?
(4-bromo-1-ethylpyrazol-5-yl)-(6-methoxypyrimidin-4-yl)methanone has a molecular weight of 311.14 g/mol, XLogP of 1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-ethylpyrazol-5-yl)-(6-methoxypyrimidin-4-yl)methanone is sourced from PubChem (CID 102950211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).