1-(1-ethylpyrazol-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone

C11H13N3OS — CID 62797724

IUPAC1-(1-ethylpyrazol-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
SMILESCCn1cc(C(=O)Cc2csc(C)n2)cn1
InChIInChI=1S/C11H13N3OS/c1-3-14-6-9(5-12-14)11(15)4-10-7-16-8(2)13-10/h5-7H,3-4H2,1-2H3
InChIKeyBZHQPYADTHTNJT-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.09
Rot. Bonds4

About 1-(1-ethylpyrazol-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone

1-(1-ethylpyrazol-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone (PubChem CID 62797724) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is 1-(1-ethylpyrazol-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(1-ethylpyrazol-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
PubChem CID62797724
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name1-(1-ethylpyrazol-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
SMILESCCn1cc(C(=O)Cc2csc(C)n2)cn1
InChIInChI=1S/C11H13N3OS/c1-3-14-6-9(5-12-14)11(15)4-10-7-16-8(2)13-10/h5-7H,3-4H2,1-2H3
InChIKeyBZHQPYADTHTNJT-UHFFFAOYSA-N
XLogP2.09
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-iodophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 114979460
1-(2-methyl-1,3-thiazol-4-yl)butan-2-one
CID 62799842
(5-bromothiophen-3-yl)-(1-ethylpyrazol-4-yl)methanone
CID 105083231
1-(3-aminophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 116548654
1-(1-ethylpyrazol-4-yl)-2-naphthalen-2-ylethanone
CID 105083330
N-ethyl-1-(1-ethylpyrazol-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 62797754
1-(4-amino-3,5-dichlorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 116609921
1-(2-methyl-4-pyridinyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 106754677
1-(1-methylimidazol-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 107977007
1-(4-butoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 105108782
2-(4-aminopyrazol-1-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 114138928
(E)-3-(4-bromothiophen-2-yl)-1-(1-ethylpyrazol-4-yl)prop-2-en-1-one
CID 19543518

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrazol-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
The IUPAC name of 1-(1-ethylpyrazol-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone (CID 62797724) is 1-(1-ethylpyrazol-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone.
What is the SMILES notation for 1-(1-ethylpyrazol-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
The canonical SMILES for 1-(1-ethylpyrazol-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone is CCn1cc(C(=O)Cc2csc(C)n2)cn1.
What is the InChIKey of 1-(1-ethylpyrazol-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
The InChIKey is BZHQPYADTHTNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-3-14-6-9(5-12-14)11(15)4-10-7-16-8(2)13-10/h5-7H,3-4H2,1-2H3.
What are the key properties of 1-(1-ethylpyrazol-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
1-(1-ethylpyrazol-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone has a molecular weight of 235.31 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrazol-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone is sourced from PubChem (CID 62797724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).