2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide

C20H23N3O5 — CID 71692042

IUPAC2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
SMILESCOc1ccc2c(C)c(CC(=O)Nc3ccnn3C(C)C)c(=O)oc2c1OC
InChIInChI=1S/C20H23N3O5/c1-11(2)23-16(8-9-21-23)22-17(24)10-14-12(3)13-6-7-15(26-4)19(27-5)18(13)28-20(14)25/h6-9,11H,10H2,1-5H3,(H,22,24)
InChIKeyFUUIVTVZWSVPKR-UHFFFAOYSA-N
MW385.42 g/mol
LogP3.08
Rot. Bonds6

About 2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide

2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide (PubChem CID 71692042) has the molecular formula C20H23N3O5 and a molecular weight of 385.42 g/mol. Its IUPAC name is 2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
PubChem CID71692042
Molecular FormulaC20H23N3O5
Molecular Weight385.42 g/mol
Exact Mass385.16
IUPAC Name2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
SMILESCOc1ccc2c(C)c(CC(=O)Nc3ccnn3C(C)C)c(=O)oc2c1OC
InChIInChI=1S/C20H23N3O5/c1-11(2)23-16(8-9-21-23)22-17(24)10-14-12(3)13-6-7-15(26-4)19(27-5)18(13)28-20(14)25/h6-9,11H,10H2,1-5H3,(H,22,24)
InChIKeyFUUIVTVZWSVPKR-UHFFFAOYSA-N
XLogP3.08
TPSA95.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-{1-[1-(2,3,4-trimethoxybenzyl)-4-piperidinyl]-1H-pyrazol-5-yl}cyclopropanecarboxamide
CID 24790595
N-(1-cyclopentyl-1H-pyrazol-5-yl)-3,4,5-trimethoxybenzamide
CID 8781434
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]oxane-4-carboxamide
CID 51248488
3,5-difluoro-N-[2-[(2,3,4-trimethoxyphenyl)methyl]pyrazol-3-yl]benzamide
CID 25670864
N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-7-methoxy-2-oxochromene-4-carboxamide
CID 52160236
N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-7-methoxy-2-oxochromene-4-carboxamide
CID 52160237
N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-7-methoxy-2-oxochromene-4-carboxamide
CID 52160240
N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-2-oxo-7-propan-2-yloxychromene-4-carboxamide
CID 52160572
N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-oxo-7-propan-2-yloxychromene-4-carboxamide
CID 52160573
N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-2-oxo-7-propan-2-yloxychromene-4-carboxamide
CID 52160576
7-ethoxy-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-2-oxochromene-4-carboxamide
CID 52161797
7-ethoxy-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-oxochromene-4-carboxamide
CID 52161798

Frequently Asked Questions

What is the IUPAC name of 2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide?
The IUPAC name of 2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide (CID 71692042) is 2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide is COc1ccc2c(C)c(CC(=O)Nc3ccnn3C(C)C)c(=O)oc2c1OC.
What is the InChIKey of 2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide?
The InChIKey is FUUIVTVZWSVPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O5/c1-11(2)23-16(8-9-21-23)22-17(24)10-14-12(3)13-6-7-15(26-4)19(27-5)18(13)28-20(14)25/h6-9,11H,10H2,1-5H3,(H,22,24).
What are the key properties of 2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide?
2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide has a molecular weight of 385.42 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide is sourced from PubChem (CID 71692042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).