5-(3-methoxycyclopentyl)-N-(1-oxo-2,3-dihydro-1-benzothiophen-7-yl)-1H-pyrazol-3-amine

C17H21N3O2S — CID 177150497

IUPAC5-(3-methoxycyclopentyl)-N-(1-oxo-2,3-dihydro-1-benzothiophen-7-yl)-1H-pyrazol-3-amine
SMILESCOC1CCC(c2cc(Nc3cccc4c3S(=O)CC4)n[nH]2)C1
InChIInChI=1S/C17H21N3O2S/c1-22-13-6-5-12(9-13)15-10-16(20-19-15)18-14-4-2-3-11-7-8-23(21)17(11)14/h2-4,10,12-13H,5-9H2,1H3,(H2,18,19,20)
InChIKeyBGCYARRGPPNLMA-UHFFFAOYSA-N
MW331.44 g/mol
LogP3.10
Rot. Bonds4

About 5-(3-methoxycyclopentyl)-N-(1-oxo-2,3-dihydro-1-benzothiophen-7-yl)-1H-pyrazol-3-amine

5-(3-methoxycyclopentyl)-N-(1-oxo-2,3-dihydro-1-benzothiophen-7-yl)-1H-pyrazol-3-amine (PubChem CID 177150497) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is 5-(3-methoxycyclopentyl)-N-(1-oxo-2,3-dihydro-1-benzothiophen-7-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(3-methoxycyclopentyl)-N-(1-oxo-2,3-dihydro-1-benzothiophen-7-yl)-1H-pyrazol-3-amine
PubChem CID177150497
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Name5-(3-methoxycyclopentyl)-N-(1-oxo-2,3-dihydro-1-benzothiophen-7-yl)-1H-pyrazol-3-amine
SMILESCOC1CCC(c2cc(Nc3cccc4c3S(=O)CC4)n[nH]2)C1
InChIInChI=1S/C17H21N3O2S/c1-22-13-6-5-12(9-13)15-10-16(20-19-15)18-14-4-2-3-11-7-8-23(21)17(11)14/h2-4,10,12-13H,5-9H2,1H3,(H2,18,19,20)
InChIKeyBGCYARRGPPNLMA-UHFFFAOYSA-N
XLogP3.10
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S)-3-[3-[(2-oxo-1,3-dihydroindol-7-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 170623677
[4-[3-[(1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-8-yl)amino]-1H-pyrazol-5-yl]cyclohexyl] N-propan-2-ylcarbamate
CID 170623467
[(3S)-3-[3-[(1-methyl-2-oxo-3H-indol-7-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 170623678
[(1R,3S)-3-[3-[(1,1-difluoro-2,3-dihydroinden-4-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 170623280
[(1R,3S)-3-[3-[(1-methyl-2-oxo-3,4-dihydroquinolin-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 170623456
[(1R,3S)-3-[3-[(1-oxo-2,3-dihydroisoindol-4-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 170623798
[(3S)-3-[3-[(2-methyl-3-oxo-1,4-dihydroisoquinolin-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate;[(1R,3S)-3-[3-[(2-oxo-1,3-dihydroinden-4-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 170623426
[3-[3-[(4-fluoro-2-oxo-1,3-dihydro-2-benzothiophen-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] 2-methylpropanoate
CID 176714774
[(1R,3S)-3-[3-[(3-methyl-1,1-dioxo-2,3-dihydro-4,1λ6,2-benzoxathiazin-8-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 170623551
[(1R,3S)-3-[3-[(2,2-dioxo-1,3-dihydrothieno[3,4-c]pyridin-4-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 170623720
acetylene;ethane;N-[5-(3-methoxycyclopentyl)-1H-pyrazol-3-yl]-3,3-dimethyl-1-oxo-2H-1,2-benzothiazol-5-amine;N-propan-2-ylformamide;prop-1-ene
CID 177150751
[3-[3-[[3-(methoxymethyl)-1-methylindazol-7-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 167293664

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxycyclopentyl)-N-(1-oxo-2,3-dihydro-1-benzothiophen-7-yl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(3-methoxycyclopentyl)-N-(1-oxo-2,3-dihydro-1-benzothiophen-7-yl)-1H-pyrazol-3-amine (CID 177150497) is 5-(3-methoxycyclopentyl)-N-(1-oxo-2,3-dihydro-1-benzothiophen-7-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(3-methoxycyclopentyl)-N-(1-oxo-2,3-dihydro-1-benzothiophen-7-yl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(3-methoxycyclopentyl)-N-(1-oxo-2,3-dihydro-1-benzothiophen-7-yl)-1H-pyrazol-3-amine is COC1CCC(c2cc(Nc3cccc4c3S(=O)CC4)n[nH]2)C1.
What is the InChIKey of 5-(3-methoxycyclopentyl)-N-(1-oxo-2,3-dihydro-1-benzothiophen-7-yl)-1H-pyrazol-3-amine?
The InChIKey is BGCYARRGPPNLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-22-13-6-5-12(9-13)15-10-16(20-19-15)18-14-4-2-3-11-7-8-23(21)17(11)14/h2-4,10,12-13H,5-9H2,1H3,(H2,18,19,20).
What are the key properties of 5-(3-methoxycyclopentyl)-N-(1-oxo-2,3-dihydro-1-benzothiophen-7-yl)-1H-pyrazol-3-amine?
5-(3-methoxycyclopentyl)-N-(1-oxo-2,3-dihydro-1-benzothiophen-7-yl)-1H-pyrazol-3-amine has a molecular weight of 331.44 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxycyclopentyl)-N-(1-oxo-2,3-dihydro-1-benzothiophen-7-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 177150497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).