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

C19H24N4O2S — CID 22517044

IUPAC1-methyl-N-(3-morpholin-4-ylpropyl)-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
SMILESCn1nc(C(=O)NCCCN2CCOCC2)c2c1-c1ccccc1SC2
InChIInChI=1S/C19H24N4O2S/c1-22-18-14-5-2-3-6-16(14)26-13-15(18)17(21-22)19(24)20-7-4-8-23-9-11-25-12-10-23/h2-3,5-6H,4,7-13H2,1H3,(H,20,24)
InChIKeyKVXZIEMHJCTLSF-UHFFFAOYSA-N
MW372.49 g/mol
LogP2.14
Rot. Bonds5

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

1-methyl-N-(3-morpholin-4-ylpropyl)-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide (PubChem CID 22517044) has the molecular formula C19H24N4O2S and a molecular weight of 372.49 g/mol. Its IUPAC name is 1-methyl-N-(3-morpholin-4-ylpropyl)-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(3-morpholin-4-ylpropyl)-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
PubChem CID22517044
Molecular FormulaC19H24N4O2S
Molecular Weight372.49 g/mol
Exact Mass372.16
IUPAC Name1-methyl-N-(3-morpholin-4-ylpropyl)-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
SMILESCn1nc(C(=O)NCCCN2CCOCC2)c2c1-c1ccccc1SC2
InChIInChI=1S/C19H24N4O2S/c1-22-18-14-5-2-3-6-16(14)26-13-15(18)17(21-22)19(24)20-7-4-8-23-9-11-25-12-10-23/h2-3,5-6H,4,7-13H2,1H3,(H,20,24)
InChIKeyKVXZIEMHJCTLSF-UHFFFAOYSA-N
XLogP2.14
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-methyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
CID 22517079
N-[2-(dimethylamino)ethyl]-1-methyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
CID 22517050
1-methyl-N-(3-morpholin-4-ylpropyl)-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide
CID 46340969
N-(3,4-dimethylphenyl)-1-methyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
CID 20873262
N-[3-(4-phenylpiperazin-1-yl)propyl]-4H-thiochromeno[3,4-d][1,2]oxazole-3-carboxamide
CID 22516787
(4-methylpiperazin-1-yl)-(1-methyl-4H-thiochromeno[3,4-d]pyrazol-3-yl)methanone
CID 22517041
1-methyl-N-pyridin-3-yl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
CID 6625709
1-N,4-N-bis(3-morpholin-4-ylpropyl)benzene-1,4-dicarboxamide;hydrochloride
CID 54609927
1-methyl-N-(3-morpholin-4-ylpropyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 82585530
1-methyl-4-(3-morpholin-4-ylpropylcarbamoyl)pyrazole-3-carboxylic acid
CID 19624113
4-chloro-1,5-dimethyl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide
CID 19266741
N-(3-morpholin-4-ylpropyl)-2-propan-2-ylbenzamide
CID 143519809

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(3-morpholin-4-ylpropyl)-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide?
The IUPAC name of 1-methyl-N-(3-morpholin-4-ylpropyl)-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide (CID 22517044) is 1-methyl-N-(3-morpholin-4-ylpropyl)-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-(3-morpholin-4-ylpropyl)-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide?
The canonical SMILES for 1-methyl-N-(3-morpholin-4-ylpropyl)-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide is Cn1nc(C(=O)NCCCN2CCOCC2)c2c1-c1ccccc1SC2.
What is the InChIKey of 1-methyl-N-(3-morpholin-4-ylpropyl)-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide?
The InChIKey is KVXZIEMHJCTLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2S/c1-22-18-14-5-2-3-6-16(14)26-13-15(18)17(21-22)19(24)20-7-4-8-23-9-11-25-12-10-23/h2-3,5-6H,4,7-13H2,1H3,(H,20,24).
What are the key properties of 1-methyl-N-(3-morpholin-4-ylpropyl)-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide?
1-methyl-N-(3-morpholin-4-ylpropyl)-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide has a molecular weight of 372.49 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(3-morpholin-4-ylpropyl)-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide is sourced from PubChem (CID 22517044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).