2-(3,4-dimethylphenyl)chromeno[2,3-c]pyrazol-3-one

C18H14N2O2 — CID 46329150

IUPAC2-(3,4-dimethylphenyl)chromeno[2,3-c]pyrazol-3-one
SMILESCc1ccc(-n2nc3oc4ccccc4cc-3c2=O)cc1C
InChIInChI=1S/C18H14N2O2/c1-11-7-8-14(9-12(11)2)20-18(21)15-10-13-5-3-4-6-16(13)22-17(15)19-20/h3-10H,1-2H3
InChIKeyOBDBTZYCHVBBJB-UHFFFAOYSA-N
MW290.32 g/mol
LogP3.70
Rot. Bonds1

About 2-(3,4-dimethylphenyl)chromeno[2,3-c]pyrazol-3-one

2-(3,4-dimethylphenyl)chromeno[2,3-c]pyrazol-3-one (PubChem CID 46329150) has the molecular formula C18H14N2O2 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)chromeno[2,3-c]pyrazol-3-one.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)chromeno[2,3-c]pyrazol-3-one
PubChem CID46329150
Molecular FormulaC18H14N2O2
Molecular Weight290.32 g/mol
Exact Mass290.11
IUPAC Name2-(3,4-dimethylphenyl)chromeno[2,3-c]pyrazol-3-one
SMILESCc1ccc(-n2nc3oc4ccccc4cc-3c2=O)cc1C
InChIInChI=1S/C18H14N2O2/c1-11-7-8-14(9-12(11)2)20-18(21)15-10-13-5-3-4-6-16(13)22-17(15)19-20/h3-10H,1-2H3
InChIKeyOBDBTZYCHVBBJB-UHFFFAOYSA-N
XLogP3.70
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethylphenyl)-2-oxo-2H-chromene-3-carboxamide
CID 724195
2-imino-N-(4-methylphenyl)-2H-chromene-3-carboxamide
CID 703676
2-imino-N-phenyl-2H-chromene-3-carboxamide
CID 739354
2-Imino-6-methoxy-2H-chromene-3-carboxylic acid (2,3-dimethyl-phenyl)-amide
CID 839714
N-(3-fluorophenyl)-2-imino-2H-chromene-3-carboxamide
CID 3938413
N-(4-fluorophenyl)-2-imino-2H-chromene-3-carboxamide
CID 4270012
1-Phenyl-3-methyl-4-(2-methoxyphenylmethylene)-5-pyrazolone
CID 5377598
8-Methoxy-2-phenylchromeno[2,3-c]pyrazol-3-one
CID 5307338
N-(3,4-dimethylphenyl)-2H-chromene-3-carboxamide
CID 7464948
6-[(E)-2-(2-methoxyphenyl)ethenyl]-2-phenylpyridazin-3-one
CID 155531758
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-imino-2H-chromene-3-carboxamide
CID 17373641
2-imino-N-(naphthalen-1-yl)-2H-chromene-3-carboxamide
CID 395954

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)chromeno[2,3-c]pyrazol-3-one?
The IUPAC name of 2-(3,4-dimethylphenyl)chromeno[2,3-c]pyrazol-3-one (CID 46329150) is 2-(3,4-dimethylphenyl)chromeno[2,3-c]pyrazol-3-one.
What is the SMILES notation for 2-(3,4-dimethylphenyl)chromeno[2,3-c]pyrazol-3-one?
The canonical SMILES for 2-(3,4-dimethylphenyl)chromeno[2,3-c]pyrazol-3-one is Cc1ccc(-n2nc3oc4ccccc4cc-3c2=O)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)chromeno[2,3-c]pyrazol-3-one?
The InChIKey is OBDBTZYCHVBBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O2/c1-11-7-8-14(9-12(11)2)20-18(21)15-10-13-5-3-4-6-16(13)22-17(15)19-20/h3-10H,1-2H3.
What are the key properties of 2-(3,4-dimethylphenyl)chromeno[2,3-c]pyrazol-3-one?
2-(3,4-dimethylphenyl)chromeno[2,3-c]pyrazol-3-one has a molecular weight of 290.32 g/mol, XLogP of 3.70, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)chromeno[2,3-c]pyrazol-3-one is sourced from PubChem (CID 46329150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).