N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(1-pentan-3-ylpyrazol-3-yl)methanamine

C17H25N3S — CID 64800474

IUPACN-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(1-pentan-3-ylpyrazol-3-yl)methanamine
SMILESCCC(CC)n1ccc(CNCc2cc3c(s2)CCC3)n1
InChIInChI=1S/C17H25N3S/c1-3-15(4-2)20-9-8-14(19-20)11-18-12-16-10-13-6-5-7-17(13)21-16/h8-10,15,18H,3-7,11-12H2,1-2H3
InChIKeyZUIUTIJVNPOXMY-UHFFFAOYSA-N
MW303.47 g/mol
LogP4.08
Rot. Bonds7

About N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(1-pentan-3-ylpyrazol-3-yl)methanamine

N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(1-pentan-3-ylpyrazol-3-yl)methanamine (PubChem CID 64800474) has the molecular formula C17H25N3S and a molecular weight of 303.47 g/mol. Its IUPAC name is N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(1-pentan-3-ylpyrazol-3-yl)methanamine.

Molecular Properties

Compound NameN-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(1-pentan-3-ylpyrazol-3-yl)methanamine
PubChem CID64800474
Molecular FormulaC17H25N3S
Molecular Weight303.47 g/mol
Exact Mass303.18
IUPAC NameN-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(1-pentan-3-ylpyrazol-3-yl)methanamine
SMILESCCC(CC)n1ccc(CNCc2cc3c(s2)CCC3)n1
InChIInChI=1S/C17H25N3S/c1-3-15(4-2)20-9-8-14(19-20)11-18-12-16-10-13-6-5-7-17(13)21-16/h8-10,15,18H,3-7,11-12H2,1-2H3
InChIKeyZUIUTIJVNPOXMY-UHFFFAOYSA-N
XLogP4.08
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(1-pentan-3-ylpyrazol-3-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-cyclopentylpyrazol-3-yl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)methanamine
CID 64800283
N-[(5-ethylthiophen-2-yl)methyl]-1-(1-pentan-3-ylpyrazol-3-yl)methanamine
CID 106010807
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-methylpentan-2-amine
CID 61208159
N-[(1-pentan-3-ylpyrazol-3-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 64800508
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)pentan-1-amine
CID 61208352
N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanamine
CID 83074898
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(4-methoxyphenyl)methanamine
CID 61208540
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-[(3-methylfuran-2-yl)methyl]methanamine
CID 113243110
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]methanamine
CID 61206659
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-(4-methylpiperazin-1-yl)ethanamine
CID 82889883
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-phenylpropan-1-amine
CID 61207209
1-(4-cyclopropylphenyl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)methanamine
CID 79969750

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(1-pentan-3-ylpyrazol-3-yl)methanamine?
The IUPAC name of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(1-pentan-3-ylpyrazol-3-yl)methanamine (CID 64800474) is N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(1-pentan-3-ylpyrazol-3-yl)methanamine.
What is the SMILES notation for N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(1-pentan-3-ylpyrazol-3-yl)methanamine?
The canonical SMILES for N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(1-pentan-3-ylpyrazol-3-yl)methanamine is CCC(CC)n1ccc(CNCc2cc3c(s2)CCC3)n1.
What is the InChIKey of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(1-pentan-3-ylpyrazol-3-yl)methanamine?
The InChIKey is ZUIUTIJVNPOXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3S/c1-3-15(4-2)20-9-8-14(19-20)11-18-12-16-10-13-6-5-7-17(13)21-16/h8-10,15,18H,3-7,11-12H2,1-2H3.
What are the key properties of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(1-pentan-3-ylpyrazol-3-yl)methanamine?
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(1-pentan-3-ylpyrazol-3-yl)methanamine has a molecular weight of 303.47 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(1-pentan-3-ylpyrazol-3-yl)methanamine is sourced from PubChem (CID 64800474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).