2-amino-1-(4-methoxy-1-methylpyrazol-5-yl)-2-thiophen-2-ylethanone

C11H13N3O2S — CID 114670723

IUPAC2-amino-1-(4-methoxy-1-methylpyrazol-5-yl)-2-thiophen-2-ylethanone
SMILESCOc1cnn(C)c1C(=O)C(N)c1cccs1
InChIInChI=1S/C11H13N3O2S/c1-14-10(7(16-2)6-13-14)11(15)9(12)8-4-3-5-17-8/h3-6,9H,12H2,1-2H3
InChIKeySORBTDSOKBSYLT-UHFFFAOYSA-N
MW251.31 g/mol
LogP1.37
Rot. Bonds4

About 2-amino-1-(4-methoxy-1-methylpyrazol-5-yl)-2-thiophen-2-ylethanone

2-amino-1-(4-methoxy-1-methylpyrazol-5-yl)-2-thiophen-2-ylethanone (PubChem CID 114670723) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is 2-amino-1-(4-methoxy-1-methylpyrazol-5-yl)-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-amino-1-(4-methoxy-1-methylpyrazol-5-yl)-2-thiophen-2-ylethanone
PubChem CID114670723
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC Name2-amino-1-(4-methoxy-1-methylpyrazol-5-yl)-2-thiophen-2-ylethanone
SMILESCOc1cnn(C)c1C(=O)C(N)c1cccs1
InChIInChI=1S/C11H13N3O2S/c1-14-10(7(16-2)6-13-14)11(15)9(12)8-4-3-5-17-8/h3-6,9H,12H2,1-2H3
InChIKeySORBTDSOKBSYLT-UHFFFAOYSA-N
XLogP1.37
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-amino-1-(4-methoxy-1-methylpyrazol-5-yl)-2-phenylethanone
CID 104940695
(4-methoxy-1-methylpyrazol-5-yl)-thiophen-2-ylmethanol
CID 114634516
2-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)butan-1-one
CID 115809538
(4-methoxy-1-methylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methanone
CID 115809517
2-amino-1-(4-methoxy-1-methylpyrazol-5-yl)pent-4-en-1-one
CID 114670977
3,3,3-trifluoro-1-(4-methoxy-1-methylpyrazol-5-yl)-2-(trifluoromethyl)propan-1-one
CID 103311593
4-methoxy-1-methylpyrazole-5-carboxylic acid
CID 46398720
2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)butan-1-one
CID 114642497
methyl 4-methoxy-1-methylpyrazole-5-carboxylate
CID 106942430
(4-aminophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone
CID 114668105
(5-fluoro-2-pyridinyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone
CID 114641498
1-amino-1-thiophen-2-ylpropan-2-one
CID 55294508

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-methoxy-1-methylpyrazol-5-yl)-2-thiophen-2-ylethanone?
The IUPAC name of 2-amino-1-(4-methoxy-1-methylpyrazol-5-yl)-2-thiophen-2-ylethanone (CID 114670723) is 2-amino-1-(4-methoxy-1-methylpyrazol-5-yl)-2-thiophen-2-ylethanone.
What is the SMILES notation for 2-amino-1-(4-methoxy-1-methylpyrazol-5-yl)-2-thiophen-2-ylethanone?
The canonical SMILES for 2-amino-1-(4-methoxy-1-methylpyrazol-5-yl)-2-thiophen-2-ylethanone is COc1cnn(C)c1C(=O)C(N)c1cccs1.
What is the InChIKey of 2-amino-1-(4-methoxy-1-methylpyrazol-5-yl)-2-thiophen-2-ylethanone?
The InChIKey is SORBTDSOKBSYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-14-10(7(16-2)6-13-14)11(15)9(12)8-4-3-5-17-8/h3-6,9H,12H2,1-2H3.
What are the key properties of 2-amino-1-(4-methoxy-1-methylpyrazol-5-yl)-2-thiophen-2-ylethanone?
2-amino-1-(4-methoxy-1-methylpyrazol-5-yl)-2-thiophen-2-ylethanone has a molecular weight of 251.31 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-methoxy-1-methylpyrazol-5-yl)-2-thiophen-2-ylethanone is sourced from PubChem (CID 114670723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).