1-benzyl-6-methyl-3-[(E)-prop-1-enyl]-6,7-dihydropyrano[4,3-c]pyrazol-4-one

C17H18N2O2 — CID 13164470

IUPAC1-benzyl-6-methyl-3-[(E)-prop-1-enyl]-6,7-dihydropyrano[4,3-c]pyrazol-4-one
SMILESC/C=C/c1nn(Cc2ccccc2)c2c1C(=O)OC(C)C2
InChIInChI=1S/C17H18N2O2/c1-3-7-14-16-15(10-12(2)21-17(16)20)19(18-14)11-13-8-5-4-6-9-13/h3-9,12H,10-11H2,1-2H3/b7-3+
InChIKeyJJWVKCHFSNNPCF-XVNBXDOJSA-N
MW282.34 g/mol
LogP3.07
Rot. Bonds3

About 1-benzyl-6-methyl-3-[(E)-prop-1-enyl]-6,7-dihydropyrano[4,3-c]pyrazol-4-one

1-benzyl-6-methyl-3-[(E)-prop-1-enyl]-6,7-dihydropyrano[4,3-c]pyrazol-4-one (PubChem CID 13164470) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 1-benzyl-6-methyl-3-[(E)-prop-1-enyl]-6,7-dihydropyrano[4,3-c]pyrazol-4-one.

Molecular Properties

Compound Name1-benzyl-6-methyl-3-[(E)-prop-1-enyl]-6,7-dihydropyrano[4,3-c]pyrazol-4-one
PubChem CID13164470
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name1-benzyl-6-methyl-3-[(E)-prop-1-enyl]-6,7-dihydropyrano[4,3-c]pyrazol-4-one
SMILESC/C=C/c1nn(Cc2ccccc2)c2c1C(=O)OC(C)C2
InChIInChI=1S/C17H18N2O2/c1-3-7-14-16-15(10-12(2)21-17(16)20)19(18-14)11-13-8-5-4-6-9-13/h3-9,12H,10-11H2,1-2H3/b7-3+
InChIKeyJJWVKCHFSNNPCF-XVNBXDOJSA-N
XLogP3.07
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-benzyl-6-methyl-3-[(E)-prop-1-enyl]-6,7-dihydropyrano[4,3-c]pyrazol-4-one with MolForge

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Related Compounds

1-benzyl-3-[(E)-prop-1-enyl]-4,5,6,7-tetrahydroindazole
CID 143116710
1-benzyl-3-ethyl-6,7-dihydro-5H-indazol-4-one
CID 82590651
1-benzyl-N,N-dimethyl-5-(3-phenylpropylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45161434
(2S,6S)-6-methyl-2-(2-phenylethyl)-1,3-dioxan-4-one
CID 18631286
(3R)-2-benzyl-3-methyl-1,2-oxazolidin-5-one
CID 13358936
(5R,6S)-1-benzyl-5,6-dimethylpiperidin-3-one
CID 124709041
1-benzyl-N,N-dimethyl-5-(2-phenylethylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45165010
(4S,5R,6S)-1-benzyl-4,5,6-trimethylpiperidin-3-one
CID 99723982
2-(1-benzyl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-3-yl)ethenesulfonic acid
CID 90967428
(E)-2-(1-benzyl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-3-yl)ethenesulfonic acid
CID 87590238
1-benzyl-N,N-dimethyl-5-[methyl(2-phenylethyl)amino]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 56857748
(3aR,4R,6S,6aS)-5-benzyl-2,2,4,6-tetramethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole
CID 10869050

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6-methyl-3-[(E)-prop-1-enyl]-6,7-dihydropyrano[4,3-c]pyrazol-4-one?
The IUPAC name of 1-benzyl-6-methyl-3-[(E)-prop-1-enyl]-6,7-dihydropyrano[4,3-c]pyrazol-4-one (CID 13164470) is 1-benzyl-6-methyl-3-[(E)-prop-1-enyl]-6,7-dihydropyrano[4,3-c]pyrazol-4-one.
What is the SMILES notation for 1-benzyl-6-methyl-3-[(E)-prop-1-enyl]-6,7-dihydropyrano[4,3-c]pyrazol-4-one?
The canonical SMILES for 1-benzyl-6-methyl-3-[(E)-prop-1-enyl]-6,7-dihydropyrano[4,3-c]pyrazol-4-one is C/C=C/c1nn(Cc2ccccc2)c2c1C(=O)OC(C)C2.
What is the InChIKey of 1-benzyl-6-methyl-3-[(E)-prop-1-enyl]-6,7-dihydropyrano[4,3-c]pyrazol-4-one?
The InChIKey is JJWVKCHFSNNPCF-XVNBXDOJSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-3-7-14-16-15(10-12(2)21-17(16)20)19(18-14)11-13-8-5-4-6-9-13/h3-9,12H,10-11H2,1-2H3/b7-3+.
What are the key properties of 1-benzyl-6-methyl-3-[(E)-prop-1-enyl]-6,7-dihydropyrano[4,3-c]pyrazol-4-one?
1-benzyl-6-methyl-3-[(E)-prop-1-enyl]-6,7-dihydropyrano[4,3-c]pyrazol-4-one has a molecular weight of 282.34 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-methyl-3-[(E)-prop-1-enyl]-6,7-dihydropyrano[4,3-c]pyrazol-4-one is sourced from PubChem (CID 13164470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).