3-(furan-2-yl)-6-methyl-1-phenylpyrano[4,3-c]pyrazol-4-one

C17H12N2O3 — CID 71371747

IUPAC3-(furan-2-yl)-6-methyl-1-phenylpyrano[4,3-c]pyrazol-4-one
SMILESCc1cc2c(c(-c3ccco3)nn2-c2ccccc2)c(=O)o1
InChIInChI=1S/C17H12N2O3/c1-11-10-13-15(17(20)22-11)16(14-8-5-9-21-14)18-19(13)12-6-3-2-4-7-12/h2-10H,1H3
InChIKeyQVWLBMJALVOEKM-UHFFFAOYSA-N
MW292.29 g/mol
LogP3.55
Rot. Bonds2

About 3-(furan-2-yl)-6-methyl-1-phenylpyrano[4,3-c]pyrazol-4-one

3-(furan-2-yl)-6-methyl-1-phenylpyrano[4,3-c]pyrazol-4-one (PubChem CID 71371747) has the molecular formula C17H12N2O3 and a molecular weight of 292.29 g/mol. Its IUPAC name is 3-(furan-2-yl)-6-methyl-1-phenylpyrano[4,3-c]pyrazol-4-one.

Molecular Properties

Compound Name3-(furan-2-yl)-6-methyl-1-phenylpyrano[4,3-c]pyrazol-4-one
PubChem CID71371747
Molecular FormulaC17H12N2O3
Molecular Weight292.29 g/mol
Exact Mass292.08
IUPAC Name3-(furan-2-yl)-6-methyl-1-phenylpyrano[4,3-c]pyrazol-4-one
SMILESCc1cc2c(c(-c3ccco3)nn2-c2ccccc2)c(=O)o1
InChIInChI=1S/C17H12N2O3/c1-11-10-13-15(17(20)22-11)16(14-8-5-9-21-14)18-19(13)12-6-3-2-4-7-12/h2-10H,1H3
InChIKeyQVWLBMJALVOEKM-UHFFFAOYSA-N
XLogP3.55
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzoyl-3,6-dimethylpyrano[3,4-d]pyrazol-4-one
CID 23818666
3-(furan-2-yl)-N-(5-methyl-2-pyridinyl)-1-phenylpyrazole-5-carboxamide
CID 46679794
3-(4-methoxyphenyl)-5-methyl-1-phenylpyrazolo[3,4-d]pyridazin-4-one
CID 101073862
2-(4-methoxyphenyl)-3,6-dimethylpyrano[4,3-c]pyrazol-4-one
CID 57393455
2-[5-(furan-2-yl)-1,3-diphenylpyrazol-4-yl]acetic acid
CID 555892
4-(furan-2-yl)-3,6-bis(4-methylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile
CID 102393650
4-(furan-2-yl)-2-phenyltriazole
CID 12752145
3-(furan-2-yl)-N-(2-hydroxypropyl)-1-phenylpyrazole-5-carboxamide
CID 78855996
1-[3-(furan-2-yl)-5-methyl-1-(4-nitrophenyl)pyrazol-4-yl]ethanone
CID 167530496
3-(5-methylfuran-2-yl)-1-phenylpyrazole-5-carboxylic acid
CID 812110
[3-(furan-2-yl)-1-phenylpyrazol-5-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 18266915
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 19513852

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-6-methyl-1-phenylpyrano[4,3-c]pyrazol-4-one?
The IUPAC name of 3-(furan-2-yl)-6-methyl-1-phenylpyrano[4,3-c]pyrazol-4-one (CID 71371747) is 3-(furan-2-yl)-6-methyl-1-phenylpyrano[4,3-c]pyrazol-4-one.
What is the SMILES notation for 3-(furan-2-yl)-6-methyl-1-phenylpyrano[4,3-c]pyrazol-4-one?
The canonical SMILES for 3-(furan-2-yl)-6-methyl-1-phenylpyrano[4,3-c]pyrazol-4-one is Cc1cc2c(c(-c3ccco3)nn2-c2ccccc2)c(=O)o1.
What is the InChIKey of 3-(furan-2-yl)-6-methyl-1-phenylpyrano[4,3-c]pyrazol-4-one?
The InChIKey is QVWLBMJALVOEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O3/c1-11-10-13-15(17(20)22-11)16(14-8-5-9-21-14)18-19(13)12-6-3-2-4-7-12/h2-10H,1H3.
What are the key properties of 3-(furan-2-yl)-6-methyl-1-phenylpyrano[4,3-c]pyrazol-4-one?
3-(furan-2-yl)-6-methyl-1-phenylpyrano[4,3-c]pyrazol-4-one has a molecular weight of 292.29 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-6-methyl-1-phenylpyrano[4,3-c]pyrazol-4-one is sourced from PubChem (CID 71371747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).