4-amino-3-ethyl-1-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrazole-5-carboxamide

C15H20N4OS — CID 66117601

IUPAC4-amino-3-ethyl-1-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrazole-5-carboxamide
SMILESCCc1nn(C)c(C(=O)NC2CCCc3sccc32)c1N
InChIInChI=1S/C15H20N4OS/c1-3-10-13(16)14(19(2)18-10)15(20)17-11-5-4-6-12-9(11)7-8-21-12/h7-8,11H,3-6,16H2,1-2H3,(H,17,20)
InChIKeyPIJZLBJWADSFCC-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.43
Rot. Bonds3

About 4-amino-3-ethyl-1-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrazole-5-carboxamide

4-amino-3-ethyl-1-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrazole-5-carboxamide (PubChem CID 66117601) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is 4-amino-3-ethyl-1-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-3-ethyl-1-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrazole-5-carboxamide
PubChem CID66117601
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name4-amino-3-ethyl-1-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrazole-5-carboxamide
SMILESCCc1nn(C)c(C(=O)NC2CCCc3sccc32)c1N
InChIInChI=1S/C15H20N4OS/c1-3-10-13(16)14(19(2)18-10)15(20)17-11-5-4-6-12-9(11)7-8-21-12/h7-8,11H,3-6,16H2,1-2H3,(H,17,20)
InChIKeyPIJZLBJWADSFCC-UHFFFAOYSA-N
XLogP2.43
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-1-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrazole-5-carboxamide
CID 65359853
4-amino-1-ethyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrazole-5-carboxamide
CID 65358960
4-amino-1-ethyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrrole-2-carboxamide
CID 62840418
2-amino-2-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)propanamide
CID 62844385
2-amino-6-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide
CID 62842162
2-(ethylamino)-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide
CID 62843224
4-amino-3-ethyl-1-methyl-N-(2-phenylcyclopropyl)pyrazole-5-carboxamide
CID 66118023
N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)thiophene-2-carboxamide
CID 64593278
3-ethyl-1-methyl-6-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)imidazo[4,5-d]pyrazol-5-amine
CID 79281757
4-amino-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1H-pyrrole-2-carboxamide
CID 62840417
4-amino-N-(3-cyclopentylpropyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 106006327
4-bromo-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide
CID 62844058

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-ethyl-1-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrazole-5-carboxamide?
The IUPAC name of 4-amino-3-ethyl-1-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrazole-5-carboxamide (CID 66117601) is 4-amino-3-ethyl-1-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-3-ethyl-1-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-3-ethyl-1-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrazole-5-carboxamide is CCc1nn(C)c(C(=O)NC2CCCc3sccc32)c1N.
What is the InChIKey of 4-amino-3-ethyl-1-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrazole-5-carboxamide?
The InChIKey is PIJZLBJWADSFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-3-10-13(16)14(19(2)18-10)15(20)17-11-5-4-6-12-9(11)7-8-21-12/h7-8,11H,3-6,16H2,1-2H3,(H,17,20).
What are the key properties of 4-amino-3-ethyl-1-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrazole-5-carboxamide?
4-amino-3-ethyl-1-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrazole-5-carboxamide has a molecular weight of 304.42 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-ethyl-1-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 66117601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).