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

C13H16N4OS — CID 65359853

IUPAC4-amino-1-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrazole-5-carboxamide
SMILESCn1ncc(N)c1C(=O)NC1CCCc2sccc21
InChIInChI=1S/C13H16N4OS/c1-17-12(9(14)7-15-17)13(18)16-10-3-2-4-11-8(10)5-6-19-11/h5-7,10H,2-4,14H2,1H3,(H,16,18)
InChIKeyJWXKDMPTXSMQNN-UHFFFAOYSA-N
MW276.37 g/mol
LogP1.87
Rot. Bonds2

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

4-amino-1-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrazole-5-carboxamide (PubChem CID 65359853) has the molecular formula C13H16N4OS and a molecular weight of 276.37 g/mol. Its IUPAC name is 4-amino-1-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-1-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrazole-5-carboxamide
PubChem CID65359853
Molecular FormulaC13H16N4OS
Molecular Weight276.37 g/mol
Exact Mass276.10
IUPAC Name4-amino-1-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrazole-5-carboxamide
SMILESCn1ncc(N)c1C(=O)NC1CCCc2sccc21
InChIInChI=1S/C13H16N4OS/c1-17-12(9(14)7-15-17)13(18)16-10-3-2-4-11-8(10)5-6-19-11/h5-7,10H,2-4,14H2,1H3,(H,16,18)
InChIKeyJWXKDMPTXSMQNN-UHFFFAOYSA-N
XLogP1.87
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-1-ethyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrazole-5-carboxamide
CID 65358960
4-amino-3-ethyl-1-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrazole-5-carboxamide
CID 66117601
2-amino-6-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide
CID 62842162
4-amino-N-cyclohexyl-1-methylpyrazole-5-carboxamide
CID 65356046
2-amino-2-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)propanamide
CID 62844385
3-amino-4-bromo-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide
CID 62841982
3-amino-2-chloro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide
CID 115930522
N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)thiophene-2-carboxamide
CID 64593278
4-amino-1-ethyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrrole-2-carboxamide
CID 62840418
4-amino-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1H-pyrrole-2-carboxamide
CID 62840417
4-bromo-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide
CID 62844058
2-hydroxy-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide
CID 55126711

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrazole-5-carboxamide?
The IUPAC name of 4-amino-1-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrazole-5-carboxamide (CID 65359853) is 4-amino-1-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-1-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-1-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrazole-5-carboxamide is Cn1ncc(N)c1C(=O)NC1CCCc2sccc21.
What is the InChIKey of 4-amino-1-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrazole-5-carboxamide?
The InChIKey is JWXKDMPTXSMQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-17-12(9(14)7-15-17)13(18)16-10-3-2-4-11-8(10)5-6-19-11/h5-7,10H,2-4,14H2,1H3,(H,16,18).
What are the key properties of 4-amino-1-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrazole-5-carboxamide?
4-amino-1-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrazole-5-carboxamide has a molecular weight of 276.37 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 65359853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).