4-amino-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-ethylpyrazole-3-carboxamide

C14H18N4OS — CID 65358158

IUPAC4-amino-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-ethylpyrazole-3-carboxamide
SMILESCCn1cc(N)c(C(=O)NCc2cc3c(s2)CCC3)n1
InChIInChI=1S/C14H18N4OS/c1-2-18-8-11(15)13(17-18)14(19)16-7-10-6-9-4-3-5-12(9)20-10/h6,8H,2-5,7,15H2,1H3,(H,16,19)
InChIKeyBBRHCRYTNKJCJC-UHFFFAOYSA-N
MW290.39 g/mol
LogP1.97
Rot. Bonds4

About 4-amino-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-ethylpyrazole-3-carboxamide

4-amino-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-ethylpyrazole-3-carboxamide (PubChem CID 65358158) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 4-amino-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-ethylpyrazole-3-carboxamide
PubChem CID65358158
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name4-amino-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-ethylpyrazole-3-carboxamide
SMILESCCn1cc(N)c(C(=O)NCc2cc3c(s2)CCC3)n1
InChIInChI=1S/C14H18N4OS/c1-2-18-8-11(15)13(17-18)14(19)16-7-10-6-9-4-3-5-12(9)20-10/h6,8H,2-5,7,15H2,1H3,(H,16,19)
InChIKeyBBRHCRYTNKJCJC-UHFFFAOYSA-N
XLogP1.97
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-amino-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-ethylpyrazole-3-carboxamide with MolForge

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Related Compounds

4-amino-1-ethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazole-3-carboxamide
CID 65358349
2-amino-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)benzamide
CID 61207570
3-amino-5-bromo-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-methylbenzamide
CID 107872496
4-amino-3,5-dichloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)benzamide
CID 82812054
2-amino-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-methylpropanamide
CID 61265462
4-amino-1-ethyl-N-[[4-(hydroxymethyl)phenyl]methyl]pyrazole-3-carboxamide
CID 107229536
4-amino-1-ethyl-N-(2-hydroxyethyl)pyrazole-3-carboxamide
CID 65359089
4-(aminomethyl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)benzamide
CID 61208774
2-(aminomethyl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 66378252
4-amino-1-ethyl-N-[2-[ethyl(methyl)amino]ethyl]pyrazole-3-carboxamide
CID 65357738
4-amino-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-methoxybutanamide
CID 103155467
4-amino-1-ethyl-N-(2-hydroxy-2-methylpropyl)pyrazole-3-carboxamide
CID 65363321

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-ethylpyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-ethylpyrazole-3-carboxamide (CID 65358158) is 4-amino-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-ethylpyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-ethylpyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-ethylpyrazole-3-carboxamide is CCn1cc(N)c(C(=O)NCc2cc3c(s2)CCC3)n1.
What is the InChIKey of 4-amino-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-ethylpyrazole-3-carboxamide?
The InChIKey is BBRHCRYTNKJCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-2-18-8-11(15)13(17-18)14(19)16-7-10-6-9-4-3-5-12(9)20-10/h6,8H,2-5,7,15H2,1H3,(H,16,19).
What are the key properties of 4-amino-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-ethylpyrazole-3-carboxamide?
4-amino-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-ethylpyrazole-3-carboxamide has a molecular weight of 290.39 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 65358158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).