N-(2-ethoxyphenyl)-N-ethyl-1-methyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide

C22H23N3O2S — CID 22517159

IUPACN-(2-ethoxyphenyl)-N-ethyl-1-methyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
SMILESCCOc1ccccc1N(CC)C(=O)c1nn(C)c2c1CSc1ccccc1-2
InChIInChI=1S/C22H23N3O2S/c1-4-25(17-11-7-8-12-18(17)27-5-2)22(26)20-16-14-28-19-13-9-6-10-15(19)21(16)24(3)23-20/h6-13H,4-5,14H2,1-3H3
InChIKeyWWXCDDHPZGHRIE-UHFFFAOYSA-N
MW393.51 g/mol
LogP4.76
Rot. Bonds5

About N-(2-ethoxyphenyl)-N-ethyl-1-methyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide

N-(2-ethoxyphenyl)-N-ethyl-1-methyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide (PubChem CID 22517159) has the molecular formula C22H23N3O2S and a molecular weight of 393.51 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-N-ethyl-1-methyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-N-ethyl-1-methyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
PubChem CID22517159
Molecular FormulaC22H23N3O2S
Molecular Weight393.51 g/mol
Exact Mass393.15
IUPAC NameN-(2-ethoxyphenyl)-N-ethyl-1-methyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
SMILESCCOc1ccccc1N(CC)C(=O)c1nn(C)c2c1CSc1ccccc1-2
InChIInChI=1S/C22H23N3O2S/c1-4-25(17-11-7-8-12-18(17)27-5-2)22(26)20-16-14-28-19-13-9-6-10-15(19)21(16)24(3)23-20/h6-13H,4-5,14H2,1-3H3
InChIKeyWWXCDDHPZGHRIE-UHFFFAOYSA-N
XLogP4.76
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-Ethoxyphenyl)-1-methyl-1H,4H-thiochromeno[4,3-C]pyrazole-3-carboxamide
CID 16017100
N-[(2,5-Dimethoxyphenyl)methyl]-1-methyl-1H,4H-thiochromeno[4,3-C]pyrazole-3-carboxamide
CID 16017141
N-[2-(4-Ethoxyphenyl)ethyl]-1-methyl-1H,4H-thiochromeno[4,3-C]pyrazole-3-carboxamide
CID 16017196
N-(2,4-Dimethoxyphenyl)-1H,4H-thiochromeno[4,3-C]pyrazole-3-carboxamide
CID 16017668
[4-(4-Methoxyphenyl)-1-piperazinyl](1-methyl-5,5-dioxido-1,4-dihydrothiochromeno[4,3-C]pyrazol-3-YL)methanone
CID 16017760
N-[(4-methoxyphenyl)methyl]-1-methyl-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
CID 16017780
N-(2-ethoxybenzyl)-1-methyl-1,4-dihydrothiochromeno[4,3-c]pyrazole-3-carboxamide 5,5-dioxide
CID 16017807
N-(4-methoxyphenyl)-1-methyl-1,4-dihydrothiochromeno[4,3-c]pyrazole-3-carboxamide 5,5-dioxide
CID 22519975
N-[2-(3,4-Dimethoxyphenyl)ethyl]-1-methyl-1H,4H-thiochromeno[4,3-C]pyrazole-3-carboxamide
CID 16017080
6-Methoxy-3-(morpholin-4-ylcarbonyl)-1-phenyl-1,4-dihydrothiochromeno[4,3-c]pyrazole 5,5-dioxide
CID 52950345
(7-methoxy-1-methyl-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone
CID 52950386
(7-methoxy-5,5-dioxo-1-phenyl-4H-thiochromeno[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone
CID 52950387

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-N-ethyl-1-methyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide?
The IUPAC name of N-(2-ethoxyphenyl)-N-ethyl-1-methyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide (CID 22517159) is N-(2-ethoxyphenyl)-N-ethyl-1-methyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-N-ethyl-1-methyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide?
The canonical SMILES for N-(2-ethoxyphenyl)-N-ethyl-1-methyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide is CCOc1ccccc1N(CC)C(=O)c1nn(C)c2c1CSc1ccccc1-2.
What is the InChIKey of N-(2-ethoxyphenyl)-N-ethyl-1-methyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide?
The InChIKey is WWXCDDHPZGHRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2S/c1-4-25(17-11-7-8-12-18(17)27-5-2)22(26)20-16-14-28-19-13-9-6-10-15(19)21(16)24(3)23-20/h6-13H,4-5,14H2,1-3H3.
What are the key properties of N-(2-ethoxyphenyl)-N-ethyl-1-methyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide?
N-(2-ethoxyphenyl)-N-ethyl-1-methyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide has a molecular weight of 393.51 g/mol, XLogP of 4.76, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-N-ethyl-1-methyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide is sourced from PubChem (CID 22517159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).