6-methyl-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-oxochromene-3-carboxamide

C22H19N3O3 — CID 35673443

IUPAC6-methyl-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-oxochromene-3-carboxamide
SMILESCc1ccc(Cn2nccc2NC(=O)c2coc3ccc(C)cc3c2=O)cc1
InChIInChI=1S/C22H19N3O3/c1-14-3-6-16(7-4-14)12-25-20(9-10-23-25)24-22(27)18-13-28-19-8-5-15(2)11-17(19)21(18)26/h3-11,13H,12H2,1-2H3,(H,24,27)
InChIKeyWISOHBONKXROND-UHFFFAOYSA-N
MW373.41 g/mol
LogP3.91
Rot. Bonds4

About 6-methyl-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-oxochromene-3-carboxamide

6-methyl-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-oxochromene-3-carboxamide (PubChem CID 35673443) has the molecular formula C22H19N3O3 and a molecular weight of 373.41 g/mol. Its IUPAC name is 6-methyl-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-oxochromene-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-oxochromene-3-carboxamide
PubChem CID35673443
Molecular FormulaC22H19N3O3
Molecular Weight373.41 g/mol
Exact Mass373.14
IUPAC Name6-methyl-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-oxochromene-3-carboxamide
SMILESCc1ccc(Cn2nccc2NC(=O)c2coc3ccc(C)cc3c2=O)cc1
InChIInChI=1S/C22H19N3O3/c1-14-3-6-16(7-4-14)12-25-20(9-10-23-25)24-22(27)18-13-28-19-8-5-15(2)11-17(19)21(18)26/h3-11,13H,12H2,1-2H3,(H,24,27)
InChIKeyWISOHBONKXROND-UHFFFAOYSA-N
XLogP3.91
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-oxochromene-3-carboxamide?
The IUPAC name of 6-methyl-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-oxochromene-3-carboxamide (CID 35673443) is 6-methyl-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-oxochromene-3-carboxamide.
What is the SMILES notation for 6-methyl-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-oxochromene-3-carboxamide?
The canonical SMILES for 6-methyl-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-oxochromene-3-carboxamide is Cc1ccc(Cn2nccc2NC(=O)c2coc3ccc(C)cc3c2=O)cc1.
What is the InChIKey of 6-methyl-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-oxochromene-3-carboxamide?
The InChIKey is WISOHBONKXROND-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3/c1-14-3-6-16(7-4-14)12-25-20(9-10-23-25)24-22(27)18-13-28-19-8-5-15(2)11-17(19)21(18)26/h3-11,13H,12H2,1-2H3,(H,24,27).
What are the key properties of 6-methyl-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-oxochromene-3-carboxamide?
6-methyl-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-oxochromene-3-carboxamide has a molecular weight of 373.41 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-oxochromene-3-carboxamide is sourced from PubChem (CID 35673443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).