N,N-dimethyl-3-(morpholine-4-carbonyl)-1-phenyl-4H-thiochromeno[3,4-d]pyrazole-8-carboxamide

C24H24N4O3S — CID 123642920

IUPACN,N-dimethyl-3-(morpholine-4-carbonyl)-1-phenyl-4H-thiochromeno[3,4-d]pyrazole-8-carboxamide
SMILESCN(C)C(=O)c1ccc2c(c1)-c1c(c(C(=O)N3CCOCC3)nn1-c1ccccc1)CS2
InChIInChI=1S/C24H24N4O3S/c1-26(2)23(29)16-8-9-20-18(14-16)22-19(15-32-20)21(24(30)27-10-12-31-13-11-27)25-28(22)17-6-4-3-5-7-17/h3-9,14H,10-13,15H2,1-2H3
InChIKeyVZDZGIHDHXEHHB-UHFFFAOYSA-N
MW448.55 g/mol
LogP3.32
Rot. Bonds3

About N,N-dimethyl-3-(morpholine-4-carbonyl)-1-phenyl-4H-thiochromeno[3,4-d]pyrazole-8-carboxamide

N,N-dimethyl-3-(morpholine-4-carbonyl)-1-phenyl-4H-thiochromeno[3,4-d]pyrazole-8-carboxamide (PubChem CID 123642920) has the molecular formula C24H24N4O3S and a molecular weight of 448.55 g/mol. Its IUPAC name is N,N-dimethyl-3-(morpholine-4-carbonyl)-1-phenyl-4H-thiochromeno[3,4-d]pyrazole-8-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-3-(morpholine-4-carbonyl)-1-phenyl-4H-thiochromeno[3,4-d]pyrazole-8-carboxamide
PubChem CID123642920
Molecular FormulaC24H24N4O3S
Molecular Weight448.55 g/mol
Exact Mass448.16
IUPAC NameN,N-dimethyl-3-(morpholine-4-carbonyl)-1-phenyl-4H-thiochromeno[3,4-d]pyrazole-8-carboxamide
SMILESCN(C)C(=O)c1ccc2c(c1)-c1c(c(C(=O)N3CCOCC3)nn1-c1ccccc1)CS2
InChIInChI=1S/C24H24N4O3S/c1-26(2)23(29)16-8-9-20-18(14-16)22-19(15-32-20)21(24(30)27-10-12-31-13-11-27)25-28(22)17-6-4-3-5-7-17/h3-9,14H,10-13,15H2,1-2H3
InChIKeyVZDZGIHDHXEHHB-UHFFFAOYSA-N
XLogP3.32
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.55
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[4-[(dimethylamino)methyl]phenyl]-4H-thiochromeno[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone
CID 123865604
(6-fluoro-1-phenyl-4H-thiochromeno[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone
CID 123909958
[3-[3-(morpholine-4-carbonyl)-4H-thiochromeno[3,4-d]pyrazol-1-yl]phenyl]methyl methanesulfinate
CID 123156332
[1-[3-[(4-methoxypiperidin-1-yl)methyl]phenyl]-4H-thiochromeno[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone
CID 123249872
(8-fluoro-1-methyl-4H-thiochromeno[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone
CID 53000458
[1-[4-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]-4H-thiochromeno[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone
CID 123803758
[7-(ethylamino)-5,5-dioxo-1-phenyl-4H-thiochromeno[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone
CID 123824050
(7-methoxy-1-methyl-4H-thiochromeno[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone
CID 123469862
[1-(4-methylphenyl)-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone
CID 66579079
ethyl 8-nitro-1-phenyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxylate
CID 66578741
[1-(3-hydroxyphenyl)-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone
CID 66578928
1-[4-[4-(1-methyl-4H-thiochromeno[3,4-d]pyrazole-3-carbonyl)piperazin-1-yl]phenyl]ethanone
CID 22517112

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(morpholine-4-carbonyl)-1-phenyl-4H-thiochromeno[3,4-d]pyrazole-8-carboxamide?
The IUPAC name of N,N-dimethyl-3-(morpholine-4-carbonyl)-1-phenyl-4H-thiochromeno[3,4-d]pyrazole-8-carboxamide (CID 123642920) is N,N-dimethyl-3-(morpholine-4-carbonyl)-1-phenyl-4H-thiochromeno[3,4-d]pyrazole-8-carboxamide.
What is the SMILES notation for N,N-dimethyl-3-(morpholine-4-carbonyl)-1-phenyl-4H-thiochromeno[3,4-d]pyrazole-8-carboxamide?
The canonical SMILES for N,N-dimethyl-3-(morpholine-4-carbonyl)-1-phenyl-4H-thiochromeno[3,4-d]pyrazole-8-carboxamide is CN(C)C(=O)c1ccc2c(c1)-c1c(c(C(=O)N3CCOCC3)nn1-c1ccccc1)CS2.
What is the InChIKey of N,N-dimethyl-3-(morpholine-4-carbonyl)-1-phenyl-4H-thiochromeno[3,4-d]pyrazole-8-carboxamide?
The InChIKey is VZDZGIHDHXEHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3S/c1-26(2)23(29)16-8-9-20-18(14-16)22-19(15-32-20)21(24(30)27-10-12-31-13-11-27)25-28(22)17-6-4-3-5-7-17/h3-9,14H,10-13,15H2,1-2H3.
What are the key properties of N,N-dimethyl-3-(morpholine-4-carbonyl)-1-phenyl-4H-thiochromeno[3,4-d]pyrazole-8-carboxamide?
N,N-dimethyl-3-(morpholine-4-carbonyl)-1-phenyl-4H-thiochromeno[3,4-d]pyrazole-8-carboxamide has a molecular weight of 448.55 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(morpholine-4-carbonyl)-1-phenyl-4H-thiochromeno[3,4-d]pyrazole-8-carboxamide is sourced from PubChem (CID 123642920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).