(4-bromo-1-methylpyrazol-5-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanone

C11H13BrN4O — CID 105135353

IUPAC(4-bromo-1-methylpyrazol-5-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanone
SMILESCCn1nc(C)cc1C(=O)c1c(Br)cnn1C
InChIInChI=1S/C11H13BrN4O/c1-4-16-9(5-7(2)14-16)11(17)10-8(12)6-13-15(10)3/h5-6H,4H2,1-3H3
InChIKeyGQMRXGPTTFGSSP-UHFFFAOYSA-N
MW297.16 g/mol
LogP1.94
Rot. Bonds3

About (4-bromo-1-methylpyrazol-5-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanone

(4-bromo-1-methylpyrazol-5-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanone (PubChem CID 105135353) has the molecular formula C11H13BrN4O and a molecular weight of 297.16 g/mol. Its IUPAC name is (4-bromo-1-methylpyrazol-5-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name(4-bromo-1-methylpyrazol-5-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanone
PubChem CID105135353
Molecular FormulaC11H13BrN4O
Molecular Weight297.16 g/mol
Exact Mass296.03
IUPAC Name(4-bromo-1-methylpyrazol-5-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanone
SMILESCCn1nc(C)cc1C(=O)c1c(Br)cnn1C
InChIInChI=1S/C11H13BrN4O/c1-4-16-9(5-7(2)14-16)11(17)10-8(12)6-13-15(10)3/h5-6H,4H2,1-3H3
InChIKeyGQMRXGPTTFGSSP-UHFFFAOYSA-N
XLogP1.94
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.16
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(E)-1-(4-bromo-1-ethylpyrazol-5-yl)-3-(2,5-dimethylpyrazol-3-yl)prop-2-en-1-one
CID 19569367
(3-bromofuran-2-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanone
CID 105101696
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1,3-diethylpyrazol-5-yl)methanone
CID 105130796
N-(4-bromo-3-chlorophenyl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 113278409
N-(2-bromo-4-chlorophenyl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 81027249
(E)-1-(4-bromo-1-ethylpyrazol-5-yl)-3-(1,5-dimethylpyrazol-3-yl)prop-2-en-1-one
CID 19569359
1-(4-bromo-1-methylpyrazol-5-yl)decan-1-one
CID 115814816
aziridin-1-yl-(2-ethyl-5-methylpyrazol-3-yl)methanone
CID 127002241
4-bromo-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-1-methylpyrazole-5-carboxamide
CID 19475122
(4-bromo-1-methylpyrazol-5-yl)-(2H-triazol-4-yl)methanone
CID 114641783
2-(5-bromo-2-pyridinyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanone
CID 105128789
(4-bromo-1-ethylpyrazol-5-yl)-(4-chloro-3-methylphenyl)methanone
CID 115803584

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-methylpyrazol-5-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanone?
The IUPAC name of (4-bromo-1-methylpyrazol-5-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanone (CID 105135353) is (4-bromo-1-methylpyrazol-5-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanone.
What is the SMILES notation for (4-bromo-1-methylpyrazol-5-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanone?
The canonical SMILES for (4-bromo-1-methylpyrazol-5-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanone is CCn1nc(C)cc1C(=O)c1c(Br)cnn1C.
What is the InChIKey of (4-bromo-1-methylpyrazol-5-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanone?
The InChIKey is GQMRXGPTTFGSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4O/c1-4-16-9(5-7(2)14-16)11(17)10-8(12)6-13-15(10)3/h5-6H,4H2,1-3H3.
What are the key properties of (4-bromo-1-methylpyrazol-5-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanone?
(4-bromo-1-methylpyrazol-5-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanone has a molecular weight of 297.16 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-methylpyrazol-5-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 105135353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).