N-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]-4-oxochromene-2-carboxamide

C21H17N3O3 — CID 2381382

IUPACN-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]-4-oxochromene-2-carboxamide
SMILESCc1cc(NC(=O)c2cc(=O)c3ccccc3o2)n(-c2ccccc2C)n1
InChIInChI=1S/C21H17N3O3/c1-13-7-3-5-9-16(13)24-20(11-14(2)23-24)22-21(26)19-12-17(25)15-8-4-6-10-18(15)27-19/h3-12H,1-2H3,(H,22,26)
InChIKeyMBECWTPBAGIPIT-UHFFFAOYSA-N
MW359.39 g/mol
LogP3.85
Rot. Bonds3

About N-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]-4-oxochromene-2-carboxamide

N-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]-4-oxochromene-2-carboxamide (PubChem CID 2381382) has the molecular formula C21H17N3O3 and a molecular weight of 359.39 g/mol. Its IUPAC name is N-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]-4-oxochromene-2-carboxamide
PubChem CID2381382
Molecular FormulaC21H17N3O3
Molecular Weight359.39 g/mol
Exact Mass359.13
IUPAC NameN-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]-4-oxochromene-2-carboxamide
SMILESCc1cc(NC(=O)c2cc(=O)c3ccccc3o2)n(-c2ccccc2C)n1
InChIInChI=1S/C21H17N3O3/c1-13-7-3-5-9-16(13)24-20(11-14(2)23-24)22-21(26)19-12-17(25)15-8-4-6-10-18(15)27-19/h3-12H,1-2H3,(H,22,26)
InChIKeyMBECWTPBAGIPIT-UHFFFAOYSA-N
XLogP3.85
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]-4-oxochromene-2-carboxamide?
The IUPAC name of N-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]-4-oxochromene-2-carboxamide (CID 2381382) is N-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]-4-oxochromene-2-carboxamide?
The canonical SMILES for N-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]-4-oxochromene-2-carboxamide is Cc1cc(NC(=O)c2cc(=O)c3ccccc3o2)n(-c2ccccc2C)n1.
What is the InChIKey of N-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]-4-oxochromene-2-carboxamide?
The InChIKey is MBECWTPBAGIPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3/c1-13-7-3-5-9-16(13)24-20(11-14(2)23-24)22-21(26)19-12-17(25)15-8-4-6-10-18(15)27-19/h3-12H,1-2H3,(H,22,26).
What are the key properties of N-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]-4-oxochromene-2-carboxamide?
N-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]-4-oxochromene-2-carboxamide has a molecular weight of 359.39 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]-4-oxochromene-2-carboxamide is sourced from PubChem (CID 2381382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).