5-cyclopropyl-N-(4-methyl-2-oxochromen-7-yl)-1-phenylpyrazole-4-carboxamide

C23H19N3O3 — CID 42949093

IUPAC5-cyclopropyl-N-(4-methyl-2-oxochromen-7-yl)-1-phenylpyrazole-4-carboxamide
SMILESCc1cc(=O)oc2cc(NC(=O)c3cnn(-c4ccccc4)c3C3CC3)ccc12
InChIInChI=1S/C23H19N3O3/c1-14-11-21(27)29-20-12-16(9-10-18(14)20)25-23(28)19-13-24-26(22(19)15-7-8-15)17-5-3-2-4-6-17/h2-6,9-13,15H,7-8H2,1H3,(H,25,28)
InChIKeyMWNOSTQYIXLDAL-UHFFFAOYSA-N
MW385.42 g/mol
LogP4.42
Rot. Bonds4

About 5-cyclopropyl-N-(4-methyl-2-oxochromen-7-yl)-1-phenylpyrazole-4-carboxamide

5-cyclopropyl-N-(4-methyl-2-oxochromen-7-yl)-1-phenylpyrazole-4-carboxamide (PubChem CID 42949093) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is 5-cyclopropyl-N-(4-methyl-2-oxochromen-7-yl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-(4-methyl-2-oxochromen-7-yl)-1-phenylpyrazole-4-carboxamide
PubChem CID42949093
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC Name5-cyclopropyl-N-(4-methyl-2-oxochromen-7-yl)-1-phenylpyrazole-4-carboxamide
SMILESCc1cc(=O)oc2cc(NC(=O)c3cnn(-c4ccccc4)c3C3CC3)ccc12
InChIInChI=1S/C23H19N3O3/c1-14-11-21(27)29-20-12-16(9-10-18(14)20)25-23(28)19-13-24-26(22(19)15-7-8-15)17-5-3-2-4-6-17/h2-6,9-13,15H,7-8H2,1H3,(H,25,28)
InChIKeyMWNOSTQYIXLDAL-UHFFFAOYSA-N
XLogP4.42
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-(4-methyl-2-oxochromen-7-yl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-N-(4-methyl-2-oxochromen-7-yl)-1-phenylpyrazole-4-carboxamide (CID 42949093) is 5-cyclopropyl-N-(4-methyl-2-oxochromen-7-yl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-(4-methyl-2-oxochromen-7-yl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-(4-methyl-2-oxochromen-7-yl)-1-phenylpyrazole-4-carboxamide is Cc1cc(=O)oc2cc(NC(=O)c3cnn(-c4ccccc4)c3C3CC3)ccc12.
What is the InChIKey of 5-cyclopropyl-N-(4-methyl-2-oxochromen-7-yl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is MWNOSTQYIXLDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3/c1-14-11-21(27)29-20-12-16(9-10-18(14)20)25-23(28)19-13-24-26(22(19)15-7-8-15)17-5-3-2-4-6-17/h2-6,9-13,15H,7-8H2,1H3,(H,25,28).
What are the key properties of 5-cyclopropyl-N-(4-methyl-2-oxochromen-7-yl)-1-phenylpyrazole-4-carboxamide?
5-cyclopropyl-N-(4-methyl-2-oxochromen-7-yl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 385.42 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-(4-methyl-2-oxochromen-7-yl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 42949093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).