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

C22H19N3O3 — CID 53045619

IUPAC6-methyl-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-oxochromene-2-carboxamide
SMILESCc1ccc(Cn2nccc2NC(=O)c2cc(=O)c3cc(C)ccc3o2)cc1
InChIInChI=1S/C22H19N3O3/c1-14-3-6-16(7-4-14)13-25-21(9-10-23-25)24-22(27)20-12-18(26)17-11-15(2)5-8-19(17)28-20/h3-12H,13H2,1-2H3,(H,24,27)
InChIKeyKDWAOBPYVHVCEZ-UHFFFAOYSA-N
MW373.41 g/mol
LogP3.91
Rot. Bonds4

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

6-methyl-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-oxochromene-2-carboxamide (PubChem CID 53045619) 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-2-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-oxochromene-2-carboxamide
PubChem CID53045619
Molecular FormulaC22H19N3O3
Molecular Weight373.41 g/mol
Exact Mass373.14
IUPAC Name6-methyl-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-oxochromene-2-carboxamide
SMILESCc1ccc(Cn2nccc2NC(=O)c2cc(=O)c3cc(C)ccc3o2)cc1
InChIInChI=1S/C22H19N3O3/c1-14-3-6-16(7-4-14)13-25-21(9-10-23-25)24-22(27)20-12-18(26)17-11-15(2)5-8-19(17)28-20/h3-12H,13H2,1-2H3,(H,24,27)
InChIKeyKDWAOBPYVHVCEZ-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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Related Compounds

N-[2-(furan-2-ylmethyl)pyrazol-3-yl]-6-methyl-4-oxochromene-2-carboxamide
CID 39834952
6-methyl-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-oxochromene-3-carboxamide
CID 35673443
6-ethyl-4-oxo-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]chromene-2-carboxamide
CID 35673708
N-[2-(furan-2-ylmethyl)pyrazol-3-yl]-6,7-dimethyl-4-oxochromene-2-carboxamide
CID 39834947
N-(2,5-dimethylphenyl)-6-methyl-4-oxochromene-2-carboxamide
CID 23605544
5-bromo-2-iodo-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 112797900
2-(3,4-dichlorophenyl)-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]acetamide
CID 8810777
N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-methylsulfanylbenzamide
CID 112797938
3-methyl-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-oxophthalazine-1-carboxamide
CID 8810791
N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-2,4-dimethylbenzamide
CID 86906690
7-bromo-4-oxo-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]chromene-2-carboxamide
CID 39834838
6-methyl-4-oxochromene-2-carboxylic acid
CID 688704

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-oxochromene-2-carboxamide?
The IUPAC name of 6-methyl-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-oxochromene-2-carboxamide (CID 53045619) is 6-methyl-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-oxochromene-2-carboxamide.
What is the SMILES notation for 6-methyl-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-oxochromene-2-carboxamide?
The canonical SMILES for 6-methyl-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-oxochromene-2-carboxamide is Cc1ccc(Cn2nccc2NC(=O)c2cc(=O)c3cc(C)ccc3o2)cc1.
What is the InChIKey of 6-methyl-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-oxochromene-2-carboxamide?
The InChIKey is KDWAOBPYVHVCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3/c1-14-3-6-16(7-4-14)13-25-21(9-10-23-25)24-22(27)20-12-18(26)17-11-15(2)5-8-19(17)28-20/h3-12H,13H2,1-2H3,(H,24,27).
What are the key properties of 6-methyl-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-oxochromene-2-carboxamide?
6-methyl-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-oxochromene-2-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-2-carboxamide is sourced from PubChem (CID 53045619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).