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

C14H18N4OS — CID 65358960

IUPAC4-amino-1-ethyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrazole-5-carboxamide
SMILESCCn1ncc(N)c1C(=O)NC1CCCc2sccc21
InChIInChI=1S/C14H18N4OS/c1-2-18-13(10(15)8-16-18)14(19)17-11-4-3-5-12-9(11)6-7-20-12/h6-8,11H,2-5,15H2,1H3,(H,17,19)
InChIKeyXQNBALBTFKMGGN-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.35
Rot. Bonds3

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

4-amino-1-ethyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrazole-5-carboxamide (PubChem CID 65358960) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 4-amino-1-ethyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-1-ethyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrazole-5-carboxamide
PubChem CID65358960
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name4-amino-1-ethyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrazole-5-carboxamide
SMILESCCn1ncc(N)c1C(=O)NC1CCCc2sccc21
InChIInChI=1S/C14H18N4OS/c1-2-18-13(10(15)8-16-18)14(19)17-11-4-3-5-12-9(11)6-7-20-12/h6-8,11H,2-5,15H2,1H3,(H,17,19)
InChIKeyXQNBALBTFKMGGN-UHFFFAOYSA-N
XLogP2.35
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.35
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-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazole-5-carboxamide
CID 65359155
4-amino-3-ethyl-1-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrazole-5-carboxamide
CID 66117601
4-amino-N-cyclopropyl-1-ethylpyrazole-5-carboxamide
CID 65356982
4-amino-1-ethyl-N-(2-oxopiperidin-3-yl)pyrazole-5-carboxamide
CID 65358956
4-amino-1-ethyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrrole-2-carboxamide
CID 62840418
2-amino-6-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide
CID 62842162
4-amino-1-ethyl-N-(thiolan-3-yl)pyrazole-5-carboxamide
CID 103062218
2-amino-2-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)propanamide
CID 62844385
3-amino-2-chloro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide
CID 115930522
4-amino-1-ethyl-N-(2-methoxycyclopentyl)pyrazole-5-carboxamide
CID 65358909
3-amino-4-bromo-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide
CID 62841982

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrazole-5-carboxamide?
The IUPAC name of 4-amino-1-ethyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrazole-5-carboxamide (CID 65358960) is 4-amino-1-ethyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-1-ethyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-1-ethyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrazole-5-carboxamide is CCn1ncc(N)c1C(=O)NC1CCCc2sccc21.
What is the InChIKey of 4-amino-1-ethyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrazole-5-carboxamide?
The InChIKey is XQNBALBTFKMGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-2-18-13(10(15)8-16-18)14(19)17-11-4-3-5-12-9(11)6-7-20-12/h6-8,11H,2-5,15H2,1H3,(H,17,19).
What are the key properties of 4-amino-1-ethyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrazole-5-carboxamide?
4-amino-1-ethyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrazole-5-carboxamide has a molecular weight of 290.39 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 65358960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).