6-methyl-4-oxo-N-[1-(2-pyrazol-1-ylphenyl)ethyl]pyran-2-carboxamide

C18H17N3O3 — CID 90649963

IUPAC6-methyl-4-oxo-N-[1-(2-pyrazol-1-ylphenyl)ethyl]pyran-2-carboxamide
SMILESCc1cc(=O)cc(C(=O)NC(C)c2ccccc2-n2cccn2)o1
InChIInChI=1S/C18H17N3O3/c1-12-10-14(22)11-17(24-12)18(23)20-13(2)15-6-3-4-7-16(15)21-9-5-8-19-21/h3-11,13H,1-2H3,(H,20,23)
InChIKeyFTLHYFFOAOZOBA-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.62
Rot. Bonds4

About 6-methyl-4-oxo-N-[1-(2-pyrazol-1-ylphenyl)ethyl]pyran-2-carboxamide

6-methyl-4-oxo-N-[1-(2-pyrazol-1-ylphenyl)ethyl]pyran-2-carboxamide (PubChem CID 90649963) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 6-methyl-4-oxo-N-[1-(2-pyrazol-1-ylphenyl)ethyl]pyran-2-carboxamide.

Molecular Properties

Compound Name6-methyl-4-oxo-N-[1-(2-pyrazol-1-ylphenyl)ethyl]pyran-2-carboxamide
PubChem CID90649963
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name6-methyl-4-oxo-N-[1-(2-pyrazol-1-ylphenyl)ethyl]pyran-2-carboxamide
SMILESCc1cc(=O)cc(C(=O)NC(C)c2ccccc2-n2cccn2)o1
InChIInChI=1S/C18H17N3O3/c1-12-10-14(22)11-17(24-12)18(23)20-13(2)15-6-3-4-7-16(15)21-9-5-8-19-21/h3-11,13H,1-2H3,(H,20,23)
InChIKeyFTLHYFFOAOZOBA-UHFFFAOYSA-N
XLogP2.62
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(methylsulfanylmethyl)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]furan-2-carboxamide
CID 91785737
4,6-dimethyl-2-oxo-N-[1-(2-pyrazol-1-ylphenyl)ethyl]-1H-pyridine-3-carboxamide
CID 131924136
3-methyl-N-[1-(2-pyrazol-1-ylphenyl)ethyl]pyridine-2-carboxamide
CID 91773190
2-oxo-N-[1-(2-pyrazol-1-ylphenyl)ethyl]-1H-quinoline-4-carboxamide
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2-methyl-3-oxo-3-[1-(2-pyrazol-1-ylphenyl)ethylamino]propanoic acid
CID 122065751
2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]acetamide
CID 91837818
5-[(4-methylpiperidin-1-yl)methyl]-N-[1-(2-pyrazol-1-ylphenyl)ethyl]furan-2-carboxamide
CID 131951497
N-[1-(2-pyrazol-1-ylphenyl)ethyl]-4-(1,2,4-triazol-4-yl)benzamide
CID 50967869
N-[(1R)-1-(2-pyrazol-1-ylphenyl)ethyl]-4-(1,2,4-triazol-4-yl)benzamide
CID 95130579
1-(difluoromethyl)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]pyrazole-3-carboxamide
CID 131925735
N-[(1S)-1-(2-pyrazol-1-ylphenyl)ethyl]-4-(1,2,4-triazol-4-yl)benzamide
CID 95130577
4-(1H-pyrazol-5-yl)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]benzamide
CID 72879633

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-oxo-N-[1-(2-pyrazol-1-ylphenyl)ethyl]pyran-2-carboxamide?
The IUPAC name of 6-methyl-4-oxo-N-[1-(2-pyrazol-1-ylphenyl)ethyl]pyran-2-carboxamide (CID 90649963) is 6-methyl-4-oxo-N-[1-(2-pyrazol-1-ylphenyl)ethyl]pyran-2-carboxamide.
What is the SMILES notation for 6-methyl-4-oxo-N-[1-(2-pyrazol-1-ylphenyl)ethyl]pyran-2-carboxamide?
The canonical SMILES for 6-methyl-4-oxo-N-[1-(2-pyrazol-1-ylphenyl)ethyl]pyran-2-carboxamide is Cc1cc(=O)cc(C(=O)NC(C)c2ccccc2-n2cccn2)o1.
What is the InChIKey of 6-methyl-4-oxo-N-[1-(2-pyrazol-1-ylphenyl)ethyl]pyran-2-carboxamide?
The InChIKey is FTLHYFFOAOZOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-12-10-14(22)11-17(24-12)18(23)20-13(2)15-6-3-4-7-16(15)21-9-5-8-19-21/h3-11,13H,1-2H3,(H,20,23).
What are the key properties of 6-methyl-4-oxo-N-[1-(2-pyrazol-1-ylphenyl)ethyl]pyran-2-carboxamide?
6-methyl-4-oxo-N-[1-(2-pyrazol-1-ylphenyl)ethyl]pyran-2-carboxamide has a molecular weight of 323.35 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-oxo-N-[1-(2-pyrazol-1-ylphenyl)ethyl]pyran-2-carboxamide is sourced from PubChem (CID 90649963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).