1-cyclopentyl-N-[(1-methylpyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine

C15H21N3S — CID 43740523

IUPAC1-cyclopentyl-N-[(1-methylpyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine
SMILESCn1cc(CNC(c2cccs2)C2CCCC2)cn1
InChIInChI=1S/C15H21N3S/c1-18-11-12(10-17-18)9-16-15(13-5-2-3-6-13)14-7-4-8-19-14/h4,7-8,10-11,13,15-16H,2-3,5-6,9H2,1H3
InChIKeyXMNHHDCDBFQUMY-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.50
Rot. Bonds5

About 1-cyclopentyl-N-[(1-methylpyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine

1-cyclopentyl-N-[(1-methylpyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine (PubChem CID 43740523) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is 1-cyclopentyl-N-[(1-methylpyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine.

Molecular Properties

Compound Name1-cyclopentyl-N-[(1-methylpyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine
PubChem CID43740523
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC Name1-cyclopentyl-N-[(1-methylpyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine
SMILESCn1cc(CNC(c2cccs2)C2CCCC2)cn1
InChIInChI=1S/C15H21N3S/c1-18-11-12(10-17-18)9-16-15(13-5-2-3-6-13)14-7-4-8-19-14/h4,7-8,10-11,13,15-16H,2-3,5-6,9H2,1H3
InChIKeyXMNHHDCDBFQUMY-UHFFFAOYSA-N
XLogP3.50
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-1-cyclopentyl-1-thiophen-2-ylmethanamine
CID 43740592
1-cyclopentyl-N-[(1-ethylpyrrol-3-yl)methyl]-1-thiophen-2-ylmethanamine
CID 66414954
1-[(R)-cyclopentyl(thiophen-2-yl)methyl]-3-[2-(1-methylpyrazol-4-yl)ethyl]urea
CID 94120629
(1R)-1-cyclopentyl-1-(2-fluorophenyl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 97055776
1-cyclopentyl-N-[(3,5-difluorophenyl)methyl]-1-thiophen-2-ylmethanamine
CID 103851306
1-cyclopentyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-thiophen-2-ylmethanamine
CID 103898804
1-cyclopentyl-N-[(5-methylpyrazin-2-yl)methyl]-1-thiophen-2-ylmethanamine
CID 62847543
N-[(R)-cyclopentyl(thiophen-2-yl)methyl]-1-methylpyrazole-4-carboxamide
CID 39612382
(1S)-1-cycloheptyl-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 81391425
(1S)-1-cyclohexyl-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 81387813
1-cyclopentyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-1-thiophen-2-ylmethanamine
CID 62741804
N-[cyclopentyl(thiophen-2-yl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine
CID 115888475

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[(1-methylpyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine?
The IUPAC name of 1-cyclopentyl-N-[(1-methylpyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine (CID 43740523) is 1-cyclopentyl-N-[(1-methylpyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine.
What is the SMILES notation for 1-cyclopentyl-N-[(1-methylpyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine?
The canonical SMILES for 1-cyclopentyl-N-[(1-methylpyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine is Cn1cc(CNC(c2cccs2)C2CCCC2)cn1.
What is the InChIKey of 1-cyclopentyl-N-[(1-methylpyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine?
The InChIKey is XMNHHDCDBFQUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-18-11-12(10-17-18)9-16-15(13-5-2-3-6-13)14-7-4-8-19-14/h4,7-8,10-11,13,15-16H,2-3,5-6,9H2,1H3.
What are the key properties of 1-cyclopentyl-N-[(1-methylpyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine?
1-cyclopentyl-N-[(1-methylpyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine has a molecular weight of 275.42 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[(1-methylpyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine is sourced from PubChem (CID 43740523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).