(5-bromothiophen-3-yl)-(1-ethyl-4-methoxypyrazol-5-yl)methanone

C11H11BrN2O2S — CID 105133000

IUPAC(5-bromothiophen-3-yl)-(1-ethyl-4-methoxypyrazol-5-yl)methanone
SMILESCCn1ncc(OC)c1C(=O)c1csc(Br)c1
InChIInChI=1S/C11H11BrN2O2S/c1-3-14-10(8(16-2)5-13-14)11(15)7-4-9(12)17-6-7/h4-6H,3H2,1-2H3
InChIKeyZGMLPCIGIKDZOB-UHFFFAOYSA-N
MW315.19 g/mol
LogP2.97
Rot. Bonds4

About (5-bromothiophen-3-yl)-(1-ethyl-4-methoxypyrazol-5-yl)methanone

(5-bromothiophen-3-yl)-(1-ethyl-4-methoxypyrazol-5-yl)methanone (PubChem CID 105133000) has the molecular formula C11H11BrN2O2S and a molecular weight of 315.19 g/mol. Its IUPAC name is (5-bromothiophen-3-yl)-(1-ethyl-4-methoxypyrazol-5-yl)methanone.

Molecular Properties

Compound Name(5-bromothiophen-3-yl)-(1-ethyl-4-methoxypyrazol-5-yl)methanone
PubChem CID105133000
Molecular FormulaC11H11BrN2O2S
Molecular Weight315.19 g/mol
Exact Mass313.97
IUPAC Name(5-bromothiophen-3-yl)-(1-ethyl-4-methoxypyrazol-5-yl)methanone
SMILESCCn1ncc(OC)c1C(=O)c1csc(Br)c1
InChIInChI=1S/C11H11BrN2O2S/c1-3-14-10(8(16-2)5-13-14)11(15)7-4-9(12)17-6-7/h4-6H,3H2,1-2H3
InChIKeyZGMLPCIGIKDZOB-UHFFFAOYSA-N
XLogP2.97
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.19
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1-ethyl-4-methoxypyrazol-5-yl)-(4-ethylsulfanylphenyl)methanone
CID 106847992
[4-(dimethylamino)phenyl]-(1-ethyl-4-methoxypyrazol-5-yl)methanone
CID 105132998
(1-ethyl-4-methoxypyrazol-5-yl)-(3-propoxyphenyl)methanone
CID 115810337
(2-bromo-4-chlorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanone
CID 107996757
2-amino-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methylpropan-1-one
CID 114668718
(1-ethyl-4-methoxypyrazol-5-yl)-(3-methylsulfonylphenyl)methanone
CID 115810193
(5-bromothiophen-3-yl)-(1-ethylpyrazol-4-yl)methanone
CID 105083231
(5-chloro-2-methoxyphenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanone
CID 115810197
(3,5-dichloro-2-pyridinyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanone
CID 114641511
(1-ethyl-4-methoxypyrazol-5-yl)-(1-methylimidazol-2-yl)methanone
CID 114641940
(1-ethyl-4-methoxypyrazol-5-yl)-(2-fluoro-5-methylphenyl)methanone
CID 115810306
(1-ethyl-4-methoxypyrazol-5-yl)-(4-propan-2-ylthiadiazol-5-yl)methanone
CID 105133140

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-3-yl)-(1-ethyl-4-methoxypyrazol-5-yl)methanone?
The IUPAC name of (5-bromothiophen-3-yl)-(1-ethyl-4-methoxypyrazol-5-yl)methanone (CID 105133000) is (5-bromothiophen-3-yl)-(1-ethyl-4-methoxypyrazol-5-yl)methanone.
What is the SMILES notation for (5-bromothiophen-3-yl)-(1-ethyl-4-methoxypyrazol-5-yl)methanone?
The canonical SMILES for (5-bromothiophen-3-yl)-(1-ethyl-4-methoxypyrazol-5-yl)methanone is CCn1ncc(OC)c1C(=O)c1csc(Br)c1.
What is the InChIKey of (5-bromothiophen-3-yl)-(1-ethyl-4-methoxypyrazol-5-yl)methanone?
The InChIKey is ZGMLPCIGIKDZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2S/c1-3-14-10(8(16-2)5-13-14)11(15)7-4-9(12)17-6-7/h4-6H,3H2,1-2H3.
What are the key properties of (5-bromothiophen-3-yl)-(1-ethyl-4-methoxypyrazol-5-yl)methanone?
(5-bromothiophen-3-yl)-(1-ethyl-4-methoxypyrazol-5-yl)methanone has a molecular weight of 315.19 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-3-yl)-(1-ethyl-4-methoxypyrazol-5-yl)methanone is sourced from PubChem (CID 105133000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).