N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6-methyl-4-oxochromene-2-carboxamide

C22H19N3O4 — CID 4871364

IUPACN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6-methyl-4-oxochromene-2-carboxamide
SMILESCc1ccc2oc(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc(=O)c2c1
InChIInChI=1S/C22H19N3O4/c1-13-9-10-18-16(11-13)17(26)12-19(29-18)21(27)23-20-14(2)24(3)25(22(20)28)15-7-5-4-6-8-15/h4-12H,1-3H3,(H,23,27)
InChIKeyDANLNQJKXXZRCV-UHFFFAOYSA-N
MW389.41 g/mol
LogP3.15
Rot. Bonds3

About N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6-methyl-4-oxochromene-2-carboxamide

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6-methyl-4-oxochromene-2-carboxamide (PubChem CID 4871364) has the molecular formula C22H19N3O4 and a molecular weight of 389.41 g/mol. Its IUPAC name is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6-methyl-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6-methyl-4-oxochromene-2-carboxamide
PubChem CID4871364
Molecular FormulaC22H19N3O4
Molecular Weight389.41 g/mol
Exact Mass389.14
IUPAC NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6-methyl-4-oxochromene-2-carboxamide
SMILESCc1ccc2oc(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc(=O)c2c1
InChIInChI=1S/C22H19N3O4/c1-13-9-10-18-16(11-13)17(26)12-19(29-18)21(27)23-20-14(2)24(3)25(22(20)28)15-7-5-4-6-8-15/h4-12H,1-3H3,(H,23,27)
InChIKeyDANLNQJKXXZRCV-UHFFFAOYSA-N
XLogP3.15
TPSA86.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide
CID 21924
2-(2,5-dimethylbenzoyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide
CID 26003123
2-amino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methylbutanamide
CID 3047143
N-(2,5-dimethylphenyl)-6-methyl-4-oxochromene-2-carboxamide
CID 23605544
6-methyl-4-oxochromene-2-carboxylic acid
CID 688704
3-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide
CID 789711
N-(3-acetylphenyl)-6-methyl-4-oxochromene-2-carboxamide
CID 16648984
2-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)propanamide
CID 4583375
methyl 4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]benzoate
CID 26908983
1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(2-methoxy-5-methylphenyl)urea
CID 22430421
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 2240078
5-amino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-methylpyrazole-4-carboxamide
CID 110452089

Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6-methyl-4-oxochromene-2-carboxamide?
The IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6-methyl-4-oxochromene-2-carboxamide (CID 4871364) is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6-methyl-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6-methyl-4-oxochromene-2-carboxamide?
The canonical SMILES for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6-methyl-4-oxochromene-2-carboxamide is Cc1ccc2oc(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc(=O)c2c1.
What is the InChIKey of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6-methyl-4-oxochromene-2-carboxamide?
The InChIKey is DANLNQJKXXZRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O4/c1-13-9-10-18-16(11-13)17(26)12-19(29-18)21(27)23-20-14(2)24(3)25(22(20)28)15-7-5-4-6-8-15/h4-12H,1-3H3,(H,23,27).
What are the key properties of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6-methyl-4-oxochromene-2-carboxamide?
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6-methyl-4-oxochromene-2-carboxamide has a molecular weight of 389.41 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6-methyl-4-oxochromene-2-carboxamide is sourced from PubChem (CID 4871364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).