5-ethyl-N-[5-[1-methoxy-2-(methylamino)ethyl]thiophen-2-yl]-4-methyl-1H-pyrazole-3-carboxamide

C15H22N4O2S — CID 164898241

IUPAC5-ethyl-N-[5-[1-methoxy-2-(methylamino)ethyl]thiophen-2-yl]-4-methyl-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)Nc2ccc(C(CNC)OC)s2)c1C
InChIInChI=1S/C15H22N4O2S/c1-5-10-9(2)14(19-18-10)15(20)17-13-7-6-12(22-13)11(21-4)8-16-3/h6-7,11,16H,5,8H2,1-4H3,(H,17,20)(H,18,19)
InChIKeyKLUISEFBGXMTJM-UHFFFAOYSA-N
MW322.43 g/mol
LogP2.50
Rot. Bonds7

About 5-ethyl-N-[5-[1-methoxy-2-(methylamino)ethyl]thiophen-2-yl]-4-methyl-1H-pyrazole-3-carboxamide

5-ethyl-N-[5-[1-methoxy-2-(methylamino)ethyl]thiophen-2-yl]-4-methyl-1H-pyrazole-3-carboxamide (PubChem CID 164898241) has the molecular formula C15H22N4O2S and a molecular weight of 322.43 g/mol. Its IUPAC name is 5-ethyl-N-[5-[1-methoxy-2-(methylamino)ethyl]thiophen-2-yl]-4-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-[5-[1-methoxy-2-(methylamino)ethyl]thiophen-2-yl]-4-methyl-1H-pyrazole-3-carboxamide
PubChem CID164898241
Molecular FormulaC15H22N4O2S
Molecular Weight322.43 g/mol
Exact Mass322.15
IUPAC Name5-ethyl-N-[5-[1-methoxy-2-(methylamino)ethyl]thiophen-2-yl]-4-methyl-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)Nc2ccc(C(CNC)OC)s2)c1C
InChIInChI=1S/C15H22N4O2S/c1-5-10-9(2)14(19-18-10)15(20)17-13-7-6-12(22-13)11(21-4)8-16-3/h6-7,11,16H,5,8H2,1-4H3,(H,17,20)(H,18,19)
InChIKeyKLUISEFBGXMTJM-UHFFFAOYSA-N
XLogP2.50
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-ethyl-N-[5-[1-methoxy-2-(methylamino)ethyl]thiophen-2-yl]-4-methyl-1H-pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[5-[1-methoxy-2-(methylamino)ethyl]thiophen-2-yl]-4-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-ethyl-N-[5-[1-methoxy-2-(methylamino)ethyl]thiophen-2-yl]-4-methyl-1H-pyrazole-3-carboxamide (CID 164898241) is 5-ethyl-N-[5-[1-methoxy-2-(methylamino)ethyl]thiophen-2-yl]-4-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-ethyl-N-[5-[1-methoxy-2-(methylamino)ethyl]thiophen-2-yl]-4-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-ethyl-N-[5-[1-methoxy-2-(methylamino)ethyl]thiophen-2-yl]-4-methyl-1H-pyrazole-3-carboxamide is CCc1[nH]nc(C(=O)Nc2ccc(C(CNC)OC)s2)c1C.
What is the InChIKey of 5-ethyl-N-[5-[1-methoxy-2-(methylamino)ethyl]thiophen-2-yl]-4-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is KLUISEFBGXMTJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2S/c1-5-10-9(2)14(19-18-10)15(20)17-13-7-6-12(22-13)11(21-4)8-16-3/h6-7,11,16H,5,8H2,1-4H3,(H,17,20)(H,18,19).
What are the key properties of 5-ethyl-N-[5-[1-methoxy-2-(methylamino)ethyl]thiophen-2-yl]-4-methyl-1H-pyrazole-3-carboxamide?
5-ethyl-N-[5-[1-methoxy-2-(methylamino)ethyl]thiophen-2-yl]-4-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 322.43 g/mol, XLogP of 2.50, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[5-[1-methoxy-2-(methylamino)ethyl]thiophen-2-yl]-4-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 164898241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).