N-(4-ethylphenyl)-2,4-dihydrothiochromeno[4,3-c]pyrazole-3-carboxamide

C19H17N3OS — CID 6625708

IUPACN-(4-ethylphenyl)-2,4-dihydrothiochromeno[4,3-c]pyrazole-3-carboxamide
SMILESCCc1ccc(NC(=O)c2[nH]nc3c2CSc2ccccc2-3)cc1
InChIInChI=1S/C19H17N3OS/c1-2-12-7-9-13(10-8-12)20-19(23)18-15-11-24-16-6-4-3-5-14(16)17(15)21-22-18/h3-10H,2,11H2,1H3,(H,20,23)(H,21,22)
InChIKeyGBGOGEQSWDZSHY-UHFFFAOYSA-N
MW335.43 g/mol
LogP4.50
Rot. Bonds3

About N-(4-ethylphenyl)-2,4-dihydrothiochromeno[4,3-c]pyrazole-3-carboxamide

N-(4-ethylphenyl)-2,4-dihydrothiochromeno[4,3-c]pyrazole-3-carboxamide (PubChem CID 6625708) has the molecular formula C19H17N3OS and a molecular weight of 335.43 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2,4-dihydrothiochromeno[4,3-c]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2,4-dihydrothiochromeno[4,3-c]pyrazole-3-carboxamide
PubChem CID6625708
Molecular FormulaC19H17N3OS
Molecular Weight335.43 g/mol
Exact Mass335.11
IUPAC NameN-(4-ethylphenyl)-2,4-dihydrothiochromeno[4,3-c]pyrazole-3-carboxamide
SMILESCCc1ccc(NC(=O)c2[nH]nc3c2CSc2ccccc2-3)cc1
InChIInChI=1S/C19H17N3OS/c1-2-12-7-9-13(10-8-12)20-19(23)18-15-11-24-16-6-4-3-5-14(16)17(15)21-22-18/h3-10H,2,11H2,1H3,(H,20,23)(H,21,22)
InChIKeyGBGOGEQSWDZSHY-UHFFFAOYSA-N
XLogP4.50
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2,4-dihydrothiochromeno[4,3-c]pyrazole-3-carboxylate
CID 123911729
2,4-dihydrothiochromeno[4,3-c]pyrazol-3-yl(morpholin-4-yl)methanone
CID 123401361
N-(4-ethylphenyl)benzamide
CID 774063
N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide
CID 50765544
N-(4-ethylphenyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 756039
N-(4-ethylphenyl)-5-methyl-2H-triazole-4-carboxamide
CID 110691732
N-(3-fluoro-4-methylphenyl)-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide
CID 20954219
6-(2-chlorophenyl)-N-(4-ethylphenyl)pyridine-3-carboxamide
CID 58639429
N-(5-chloro-2,4-dimethoxyphenyl)-N-methyl-2,4-dihydrothiochromeno[4,3-c]pyrazole-3-carboxamide
CID 167847983
N-(3,4-dimethylphenyl)-1-methyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
CID 20873262
N-(4-ethylphenyl)-3-methyl-1H-indole-2-carboxamide
CID 113204265
4-amino-5-cyclopropyl-N-(4-ethylphenyl)-1H-pyrazole-3-carboxamide
CID 62077284

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2,4-dihydrothiochromeno[4,3-c]pyrazole-3-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-2,4-dihydrothiochromeno[4,3-c]pyrazole-3-carboxamide (CID 6625708) is N-(4-ethylphenyl)-2,4-dihydrothiochromeno[4,3-c]pyrazole-3-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-2,4-dihydrothiochromeno[4,3-c]pyrazole-3-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-2,4-dihydrothiochromeno[4,3-c]pyrazole-3-carboxamide is CCc1ccc(NC(=O)c2[nH]nc3c2CSc2ccccc2-3)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2,4-dihydrothiochromeno[4,3-c]pyrazole-3-carboxamide?
The InChIKey is GBGOGEQSWDZSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3OS/c1-2-12-7-9-13(10-8-12)20-19(23)18-15-11-24-16-6-4-3-5-14(16)17(15)21-22-18/h3-10H,2,11H2,1H3,(H,20,23)(H,21,22).
What are the key properties of N-(4-ethylphenyl)-2,4-dihydrothiochromeno[4,3-c]pyrazole-3-carboxamide?
N-(4-ethylphenyl)-2,4-dihydrothiochromeno[4,3-c]pyrazole-3-carboxamide has a molecular weight of 335.43 g/mol, XLogP of 4.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2,4-dihydrothiochromeno[4,3-c]pyrazole-3-carboxamide is sourced from PubChem (CID 6625708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).