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

C20H19N3O3 — CID 6623868

IUPACN-[(2-methoxyphenyl)methyl]-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
SMILESCOc1ccccc1CNC(=O)c1nn(C)c2c1COc1ccccc1-2
InChIInChI=1S/C20H19N3O3/c1-23-19-14-8-4-6-10-17(14)26-12-15(19)18(22-23)20(24)21-11-13-7-3-5-9-16(13)25-2/h3-10H,11-12H2,1-2H3,(H,21,24)
InChIKeyAEJIUIHJAXYXNG-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.92
Rot. Bonds4

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

N-[(2-methoxyphenyl)methyl]-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide (PubChem CID 6623868) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
PubChem CID6623868
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC NameN-[(2-methoxyphenyl)methyl]-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
SMILESCOc1ccccc1CNC(=O)c1nn(C)c2c1COc1ccccc1-2
InChIInChI=1S/C20H19N3O3/c1-23-19-14-8-4-6-10-17(14)26-12-15(19)18(22-23)20(24)21-11-13-7-3-5-9-16(13)25-2/h3-10H,11-12H2,1-2H3,(H,21,24)
InChIKeyAEJIUIHJAXYXNG-UHFFFAOYSA-N
XLogP2.92
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide (CID 6623868) is N-[(2-methoxyphenyl)methyl]-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide is COc1ccccc1CNC(=O)c1nn(C)c2c1COc1ccccc1-2.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
The InChIKey is AEJIUIHJAXYXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-23-19-14-8-4-6-10-17(14)26-12-15(19)18(22-23)20(24)21-11-13-7-3-5-9-16(13)25-2/h3-10H,11-12H2,1-2H3,(H,21,24).
What are the key properties of N-[(2-methoxyphenyl)methyl]-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
N-[(2-methoxyphenyl)methyl]-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide is sourced from PubChem (CID 6623868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).