N,4-dimethyl-3-thiophen-2-ylpyrazole-1-carboxamide

C10H11N3OS — CID 2805457

IUPACN,4-dimethyl-3-thiophen-2-ylpyrazole-1-carboxamide
SMILESCNC(=O)n1cc(C)c(-c2cccs2)n1
InChIInChI=1S/C10H11N3OS/c1-7-6-13(10(14)11-2)12-9(7)8-4-3-5-15-8/h3-6H,1-2H3,(H,11,14)
InChIKeyAVGFLQIWRGVMKE-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.11
Rot. Bonds1

About N,4-dimethyl-3-thiophen-2-ylpyrazole-1-carboxamide

N,4-dimethyl-3-thiophen-2-ylpyrazole-1-carboxamide (PubChem CID 2805457) has the molecular formula C10H11N3OS and a molecular weight of 221.28 g/mol. Its IUPAC name is N,4-dimethyl-3-thiophen-2-ylpyrazole-1-carboxamide.

Molecular Properties

Compound NameN,4-dimethyl-3-thiophen-2-ylpyrazole-1-carboxamide
PubChem CID2805457
Molecular FormulaC10H11N3OS
Molecular Weight221.28 g/mol
Exact Mass221.06
IUPAC NameN,4-dimethyl-3-thiophen-2-ylpyrazole-1-carboxamide
SMILESCNC(=O)n1cc(C)c(-c2cccs2)n1
InChIInChI=1S/C10H11N3OS/c1-7-6-13(10(14)11-2)12-9(7)8-4-3-5-15-8/h3-6H,1-2H3,(H,11,14)
InChIKeyAVGFLQIWRGVMKE-UHFFFAOYSA-N
XLogP2.11
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-3-thiophen-2-ylpyrazole-1-carboxamide?
The IUPAC name of N,4-dimethyl-3-thiophen-2-ylpyrazole-1-carboxamide (CID 2805457) is N,4-dimethyl-3-thiophen-2-ylpyrazole-1-carboxamide.
What is the SMILES notation for N,4-dimethyl-3-thiophen-2-ylpyrazole-1-carboxamide?
The canonical SMILES for N,4-dimethyl-3-thiophen-2-ylpyrazole-1-carboxamide is CNC(=O)n1cc(C)c(-c2cccs2)n1.
What is the InChIKey of N,4-dimethyl-3-thiophen-2-ylpyrazole-1-carboxamide?
The InChIKey is AVGFLQIWRGVMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3OS/c1-7-6-13(10(14)11-2)12-9(7)8-4-3-5-15-8/h3-6H,1-2H3,(H,11,14).
What are the key properties of N,4-dimethyl-3-thiophen-2-ylpyrazole-1-carboxamide?
N,4-dimethyl-3-thiophen-2-ylpyrazole-1-carboxamide has a molecular weight of 221.28 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-3-thiophen-2-ylpyrazole-1-carboxamide is sourced from PubChem (CID 2805457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).