N-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine

C17H25N3S — CID 115822305

IUPACN-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cnn(CC)c1)c1cc2c(s1)CCC2
InChIInChI=1S/C17H25N3S/c1-3-8-18-15(9-13-11-19-20(4-2)12-13)17-10-14-6-5-7-16(14)21-17/h10-12,15,18H,3-9H2,1-2H3
InChIKeyHJHUXGJCUGXHMK-UHFFFAOYSA-N
MW303.48 g/mol
LogP3.74
Rot. Bonds7

About N-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine

N-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine (PubChem CID 115822305) has the molecular formula C17H25N3S and a molecular weight of 303.48 g/mol. Its IUPAC name is N-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine
PubChem CID115822305
Molecular FormulaC17H25N3S
Molecular Weight303.48 g/mol
Exact Mass303.18
IUPAC NameN-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cnn(CC)c1)c1cc2c(s1)CCC2
InChIInChI=1S/C17H25N3S/c1-3-8-18-15(9-13-11-19-20(4-2)12-13)17-10-14-6-5-7-16(14)21-17/h10-12,15,18H,3-9H2,1-2H3
InChIKeyHJHUXGJCUGXHMK-UHFFFAOYSA-N
XLogP3.74
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.48
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine
CID 105009197
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-(1-ethylpyrazol-4-yl)-N-methylethanamine
CID 115822265
N-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-methoxyethyl]propan-1-amine
CID 105008789
3-ethyl-N-propyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentan-1-amine
CID 105028115
N-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(2-fluorophenyl)ethyl]propan-1-amine
CID 63527239
N-[1-(3,5-dichlorophenyl)-2-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine
CID 115822802
4-methyl-N-propyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentan-1-amine
CID 115834245
3-ethyl-N-propyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)pentan-1-amine
CID 105028097
N-propyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)pentan-1-amine
CID 115832731
N-[2-(1-ethylpyrazol-4-yl)-1-pyridazin-4-ylethyl]propan-1-amine
CID 105114689
N-[(1-methylpyrazol-4-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]propan-1-amine
CID 43497220
N-[2-(1H-imidazol-2-yl)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethyl]propan-1-amine
CID 43497966

Frequently Asked Questions

What is the IUPAC name of N-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine (CID 115822305) is N-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine is CCCNC(Cc1cnn(CC)c1)c1cc2c(s1)CCC2.
What is the InChIKey of N-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine?
The InChIKey is HJHUXGJCUGXHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3S/c1-3-8-18-15(9-13-11-19-20(4-2)12-13)17-10-14-6-5-7-16(14)21-17/h10-12,15,18H,3-9H2,1-2H3.
What are the key properties of N-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine?
N-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine has a molecular weight of 303.48 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine is sourced from PubChem (CID 115822305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).