1-methyl-N-(3-piperidin-1-ylpropyl)-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide

C20H26N4OS — CID 22517177

IUPAC1-methyl-N-(3-piperidin-1-ylpropyl)-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
SMILESCn1nc(C(=O)NCCCN2CCCCC2)c2c1-c1ccccc1SC2
InChIInChI=1S/C20H26N4OS/c1-23-19-15-8-3-4-9-17(15)26-14-16(19)18(22-23)20(25)21-10-7-13-24-11-5-2-6-12-24/h3-4,8-9H,2,5-7,10-14H2,1H3,(H,21,25)
InChIKeyOJMJJXMZYFKJLZ-UHFFFAOYSA-N
MW370.52 g/mol
LogP3.30
Rot. Bonds5

About 1-methyl-N-(3-piperidin-1-ylpropyl)-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide

1-methyl-N-(3-piperidin-1-ylpropyl)-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide (PubChem CID 22517177) has the molecular formula C20H26N4OS and a molecular weight of 370.52 g/mol. Its IUPAC name is 1-methyl-N-(3-piperidin-1-ylpropyl)-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(3-piperidin-1-ylpropyl)-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
PubChem CID22517177
Molecular FormulaC20H26N4OS
Molecular Weight370.52 g/mol
Exact Mass370.18
IUPAC Name1-methyl-N-(3-piperidin-1-ylpropyl)-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
SMILESCn1nc(C(=O)NCCCN2CCCCC2)c2c1-c1ccccc1SC2
InChIInChI=1S/C20H26N4OS/c1-23-19-15-8-3-4-9-17(15)26-14-16(19)18(22-23)20(25)21-10-7-13-24-11-5-2-6-12-24/h3-4,8-9H,2,5-7,10-14H2,1H3,(H,21,25)
InChIKeyOJMJJXMZYFKJLZ-UHFFFAOYSA-N
XLogP3.30
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(3S)-1-(cyclobutylamino)-1-oxo-5-piperidin-1-ylpentan-3-yl]-1-cyclopentyl-5-(2-methylsulfanylphenyl)pyrazole-3-carboxamide
CID 129226291
1-{1-Methyl-1H,4H-thiochromeno[4,3-C]pyrazole-3-carbonyl}-4-phenylpiperazine
CID 16017072
N-[(4-Fluorophenyl)methyl]-1-methyl-1H,4H-thiochromeno[4,3-C]pyrazole-3-carboxamide
CID 16017074
N-butyl-N-ethyl-1-methyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
CID 16017082
N-[(3-Chlorophenyl)methyl]-1-methyl-1H,4H-thiochromeno[4,3-C]pyrazole-3-carboxamide
CID 16017163
N-[(2-Chlorophenyl)methyl]-1-methyl-1H,4H-thiochromeno[4,3-C]pyrazole-3-carboxamide
CID 16017169
N-Benzyl-1-methyl-1H,4H-thiochromeno[4,3-C]pyrazole-3-carboxamide
CID 16017202
3-{[4-(2-fluorophenyl)piperazino]carbonyl}-1-methyl-1,4-dihydro-5H-5lambda~6~-thiochromeno[4,3-c]pyrazole-5,5-dione
CID 16017736
1-methyl-5,5-dioxo-N-propan-2-yl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
CID 16017742
N-(3-methoxypropyl)-1-methyl-1,4-dihydrothiochromeno[4,3-c]pyrazole-3-carboxamide 5,5-dioxide
CID 16017752
N-[3-(diethylamino)propyl]-1-methyl-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
CID 16017754
(1-methyl-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazol-3-yl)-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]methanone
CID 16017762

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(3-piperidin-1-ylpropyl)-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide?
The IUPAC name of 1-methyl-N-(3-piperidin-1-ylpropyl)-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide (CID 22517177) is 1-methyl-N-(3-piperidin-1-ylpropyl)-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-(3-piperidin-1-ylpropyl)-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide?
The canonical SMILES for 1-methyl-N-(3-piperidin-1-ylpropyl)-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide is Cn1nc(C(=O)NCCCN2CCCCC2)c2c1-c1ccccc1SC2.
What is the InChIKey of 1-methyl-N-(3-piperidin-1-ylpropyl)-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide?
The InChIKey is OJMJJXMZYFKJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4OS/c1-23-19-15-8-3-4-9-17(15)26-14-16(19)18(22-23)20(25)21-10-7-13-24-11-5-2-6-12-24/h3-4,8-9H,2,5-7,10-14H2,1H3,(H,21,25).
What are the key properties of 1-methyl-N-(3-piperidin-1-ylpropyl)-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide?
1-methyl-N-(3-piperidin-1-ylpropyl)-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide has a molecular weight of 370.52 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(3-piperidin-1-ylpropyl)-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide is sourced from PubChem (CID 22517177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).