1-methyl-5-(thiophen-2-ylmethylcarbamoyl)pyrazole-3-carboxylate

C11H10N3O3S- — CID 2170932

IUPAC1-methyl-5-(thiophen-2-ylmethylcarbamoyl)pyrazole-3-carboxylate
SMILESCn1nc(C(=O)[O-])cc1C(=O)NCc1cccs1
InChIInChI=1S/C11H11N3O3S/c1-14-9(5-8(13-14)11(16)17)10(15)12-6-7-3-2-4-18-7/h2-5H,6H2,1H3,(H,12,15)(H,16,17)/p-1
InChIKeyBWZWQBWJWQQLOG-UHFFFAOYSA-M
MW264.29 g/mol
LogP-0.22
Rot. Bonds4

About 1-methyl-5-(thiophen-2-ylmethylcarbamoyl)pyrazole-3-carboxylate

1-methyl-5-(thiophen-2-ylmethylcarbamoyl)pyrazole-3-carboxylate (PubChem CID 2170932) has the molecular formula C11H10N3O3S- and a molecular weight of 264.29 g/mol. Its IUPAC name is 1-methyl-5-(thiophen-2-ylmethylcarbamoyl)pyrazole-3-carboxylate.

Molecular Properties

Compound Name1-methyl-5-(thiophen-2-ylmethylcarbamoyl)pyrazole-3-carboxylate
PubChem CID2170932
Molecular FormulaC11H10N3O3S-
Molecular Weight264.29 g/mol
Exact Mass264.04
IUPAC Name1-methyl-5-(thiophen-2-ylmethylcarbamoyl)pyrazole-3-carboxylate
SMILESCn1nc(C(=O)[O-])cc1C(=O)NCc1cccs1
InChIInChI=1S/C11H11N3O3S/c1-14-9(5-8(13-14)11(16)17)10(15)12-6-7-3-2-4-18-7/h2-5H,6H2,1H3,(H,12,15)(H,16,17)/p-1
InChIKeyBWZWQBWJWQQLOG-UHFFFAOYSA-M
XLogP-0.22
TPSA87.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(thiophen-2-ylmethylcarbamoyl)pyrazole-3-carboxylate?
The IUPAC name of 1-methyl-5-(thiophen-2-ylmethylcarbamoyl)pyrazole-3-carboxylate (CID 2170932) is 1-methyl-5-(thiophen-2-ylmethylcarbamoyl)pyrazole-3-carboxylate.
What is the SMILES notation for 1-methyl-5-(thiophen-2-ylmethylcarbamoyl)pyrazole-3-carboxylate?
The canonical SMILES for 1-methyl-5-(thiophen-2-ylmethylcarbamoyl)pyrazole-3-carboxylate is Cn1nc(C(=O)[O-])cc1C(=O)NCc1cccs1.
What is the InChIKey of 1-methyl-5-(thiophen-2-ylmethylcarbamoyl)pyrazole-3-carboxylate?
The InChIKey is BWZWQBWJWQQLOG-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H11N3O3S/c1-14-9(5-8(13-14)11(16)17)10(15)12-6-7-3-2-4-18-7/h2-5H,6H2,1H3,(H,12,15)(H,16,17)/p-1.
What are the key properties of 1-methyl-5-(thiophen-2-ylmethylcarbamoyl)pyrazole-3-carboxylate?
1-methyl-5-(thiophen-2-ylmethylcarbamoyl)pyrazole-3-carboxylate has a molecular weight of 264.29 g/mol, XLogP of -0.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(thiophen-2-ylmethylcarbamoyl)pyrazole-3-carboxylate is sourced from PubChem (CID 2170932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).