1-(4-methylphenyl)-3-propylchromeno[3,4-d]pyrazol-4-one

C20H18N2O2 — CID 139225175

IUPAC1-(4-methylphenyl)-3-propylchromeno[3,4-d]pyrazol-4-one
SMILESCCCc1nn(-c2ccc(C)cc2)c2c1c(=O)oc1ccccc12
InChIInChI=1S/C20H18N2O2/c1-3-6-16-18-19(15-7-4-5-8-17(15)24-20(18)23)22(21-16)14-11-9-13(2)10-12-14/h4-5,7-12H,3,6H2,1-2H3
InChIKeyBEDSAPOWZUFJHT-UHFFFAOYSA-N
MW318.38 g/mol
LogP4.39
Rot. Bonds3

About 1-(4-methylphenyl)-3-propylchromeno[3,4-d]pyrazol-4-one

1-(4-methylphenyl)-3-propylchromeno[3,4-d]pyrazol-4-one (PubChem CID 139225175) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-propylchromeno[3,4-d]pyrazol-4-one.

Molecular Properties

Compound Name1-(4-methylphenyl)-3-propylchromeno[3,4-d]pyrazol-4-one
PubChem CID139225175
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC Name1-(4-methylphenyl)-3-propylchromeno[3,4-d]pyrazol-4-one
SMILESCCCc1nn(-c2ccc(C)cc2)c2c1c(=O)oc1ccccc12
InChIInChI=1S/C20H18N2O2/c1-3-6-16-18-19(15-7-4-5-8-17(15)24-20(18)23)22(21-16)14-11-9-13(2)10-12-14/h4-5,7-12H,3,6H2,1-2H3
InChIKeyBEDSAPOWZUFJHT-UHFFFAOYSA-N
XLogP4.39
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

8-chloro-3-methyl-1-(4-methylphenyl)chromeno[3,4-d]pyrazol-4-one
CID 139225176
1-phenyl-3,4-dipropylpyrano[3,2-d]pyrazol-6-one
CID 11601793
1-(1,3-benzothiazol-2-yl)-3-methylchromeno[3,4-d]pyrazol-4-one
CID 46702722
8-bromo-1-(3,5-dimethylphenyl)-3-methylchromeno[3,4-d]pyrazol-4-one
CID 14873169
ethyl (E)-3-[2-(3-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)phenyl]prop-2-enoate
CID 176516568
1-(4-methylphenyl)-3-propyl-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
CID 5134977
7-hydroxy-9-propylbenzo[c]chromen-6-one
CID 16754719
5-chloro-1-(4-methylphenyl)-3-propylpyrazole-4-carboxylic acid
CID 43328310
3-(hydroxymethyl)-1-methyl-2-[(4-methylphenoxy)methyl]chromeno[4,3-b]pyrrol-4-one
CID 101159004
8-chloro-1-(4-methoxyphenyl)-3-methylchromeno[3,4-d]pyrazol-4-one
CID 139225177
1-(4-methoxyphenyl)-3-methylchromeno[4,3-b]pyrrol-4-one
CID 164681987
13-methyl-15-phenyl-8-oxa-14,15,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,11,13,16-heptaen-9-one
CID 164668894

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3-propylchromeno[3,4-d]pyrazol-4-one?
The IUPAC name of 1-(4-methylphenyl)-3-propylchromeno[3,4-d]pyrazol-4-one (CID 139225175) is 1-(4-methylphenyl)-3-propylchromeno[3,4-d]pyrazol-4-one.
What is the SMILES notation for 1-(4-methylphenyl)-3-propylchromeno[3,4-d]pyrazol-4-one?
The canonical SMILES for 1-(4-methylphenyl)-3-propylchromeno[3,4-d]pyrazol-4-one is CCCc1nn(-c2ccc(C)cc2)c2c1c(=O)oc1ccccc12.
What is the InChIKey of 1-(4-methylphenyl)-3-propylchromeno[3,4-d]pyrazol-4-one?
The InChIKey is BEDSAPOWZUFJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2/c1-3-6-16-18-19(15-7-4-5-8-17(15)24-20(18)23)22(21-16)14-11-9-13(2)10-12-14/h4-5,7-12H,3,6H2,1-2H3.
What are the key properties of 1-(4-methylphenyl)-3-propylchromeno[3,4-d]pyrazol-4-one?
1-(4-methylphenyl)-3-propylchromeno[3,4-d]pyrazol-4-one has a molecular weight of 318.38 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3-propylchromeno[3,4-d]pyrazol-4-one is sourced from PubChem (CID 139225175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).