N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)acetamide

C25H25N3O5 — CID 4870042

IUPACN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)acetamide
SMILESCOc1ccc2c(C)c(CC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c(=O)oc2c1C
InChIInChI=1S/C25H25N3O5/c1-14-18-11-12-20(32-5)15(2)23(18)33-25(31)19(14)13-21(29)26-22-16(3)27(4)28(24(22)30)17-9-7-6-8-10-17/h6-12H,13H2,1-5H3,(H,26,29)
InChIKeyMHHODSHGZGNRIX-UHFFFAOYSA-N
MW447.49 g/mol
LogP3.40
Rot. Bonds5

About N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)acetamide

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)acetamide (PubChem CID 4870042) has the molecular formula C25H25N3O5 and a molecular weight of 447.49 g/mol. Its IUPAC name is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)acetamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)acetamide
PubChem CID4870042
Molecular FormulaC25H25N3O5
Molecular Weight447.49 g/mol
Exact Mass447.18
IUPAC NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)acetamide
SMILESCOc1ccc2c(C)c(CC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c(=O)oc2c1C
InChIInChI=1S/C25H25N3O5/c1-14-18-11-12-20(32-5)15(2)23(18)33-25(31)19(14)13-21(29)26-22-16(3)27(4)28(24(22)30)17-9-7-6-8-10-17/h6-12H,13H2,1-5H3,(H,26,29)
InChIKeyMHHODSHGZGNRIX-UHFFFAOYSA-N
XLogP3.40
TPSA95.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.49
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)acetamide?
The IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)acetamide (CID 4870042) is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)acetamide.
What is the SMILES notation for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)acetamide?
The canonical SMILES for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)acetamide is COc1ccc2c(C)c(CC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c(=O)oc2c1C.
What is the InChIKey of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)acetamide?
The InChIKey is MHHODSHGZGNRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O5/c1-14-18-11-12-20(32-5)15(2)23(18)33-25(31)19(14)13-21(29)26-22-16(3)27(4)28(24(22)30)17-9-7-6-8-10-17/h6-12H,13H2,1-5H3,(H,26,29).
What are the key properties of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)acetamide?
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)acetamide has a molecular weight of 447.49 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)acetamide is sourced from PubChem (CID 4870042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).