N-(2,4-dimethoxyphenyl)-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide

C20H19N3O4 — CID 22516804

IUPACN-(2,4-dimethoxyphenyl)-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2nn(C)c3c2COc2ccccc2-3)c(OC)c1
InChIInChI=1S/C20H19N3O4/c1-23-19-13-6-4-5-7-16(13)27-11-14(19)18(22-23)20(24)21-15-9-8-12(25-2)10-17(15)26-3/h4-10H,11H2,1-3H3,(H,21,24)
InChIKeyLIMOSZZOOCCNKG-UHFFFAOYSA-N
MW365.39 g/mol
LogP3.25
Rot. Bonds4

About N-(2,4-dimethoxyphenyl)-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide

N-(2,4-dimethoxyphenyl)-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide (PubChem CID 22516804) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
PubChem CID22516804
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC NameN-(2,4-dimethoxyphenyl)-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2nn(C)c3c2COc2ccccc2-3)c(OC)c1
InChIInChI=1S/C20H19N3O4/c1-23-19-13-6-4-5-7-16(13)27-11-14(19)18(22-23)20(24)21-15-9-8-12(25-2)10-17(15)26-3/h4-10H,11H2,1-3H3,(H,21,24)
InChIKeyLIMOSZZOOCCNKG-UHFFFAOYSA-N
XLogP3.25
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2,5-dimethoxyphenyl)ethyl]-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
CID 22517002
N-(2,4-dimethoxyphenyl)-1-methyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
CID 22517030
N-(2,4-dimethoxyphenyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
CID 46271728
N-(2,4-dimethoxyphenyl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 17399023
N-(2,4-dimethoxyphenyl)-3-methoxyquinoxaline-2-carboxamide
CID 50780781
1-methyl-N-(2-thiophen-3-ylethyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide
CID 22517004
N-(2,4-dimethoxyphenyl)-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-2-carboxamide
CID 53194272
N-(2,4-dimethoxyphenyl)-3-morpholin-4-ylquinoxaline-2-carboxamide
CID 46365271
N-(2,4-dimethoxyphenyl)-3-piperidin-1-ylquinoxaline-2-carboxamide
CID 46365183
N-ethyl-N-(2-ethylphenyl)-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
CID 22516984
N-(2,4-dimethoxyphenyl)-1,3-oxazole-4-carboxamide
CID 110689577
N-(2,4-dimethoxyphenyl)-4-phenylbenzamide
CID 602380

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide (CID 22516804) is N-(2,4-dimethoxyphenyl)-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide is COc1ccc(NC(=O)c2nn(C)c3c2COc2ccccc2-3)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
The InChIKey is LIMOSZZOOCCNKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-23-19-13-6-4-5-7-16(13)27-11-14(19)18(22-23)20(24)21-15-9-8-12(25-2)10-17(15)26-3/h4-10H,11H2,1-3H3,(H,21,24).
What are the key properties of N-(2,4-dimethoxyphenyl)-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
N-(2,4-dimethoxyphenyl)-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide has a molecular weight of 365.39 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide is sourced from PubChem (CID 22516804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).