1-phenyl-3,4-dipropylpyrano[3,2-d]pyrazol-6-one

C18H20N2O2 — CID 11601793

IUPAC1-phenyl-3,4-dipropylpyrano[3,2-d]pyrazol-6-one
SMILESCCCc1cc(=O)oc2c1c(CCC)nn2-c1ccccc1
InChIInChI=1S/C18H20N2O2/c1-3-8-13-12-16(21)22-18-17(13)15(9-4-2)19-20(18)14-10-6-5-7-11-14/h5-7,10-12H,3-4,8-9H2,1-2H3
InChIKeyHRRNGKXWKZKVQH-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.88
Rot. Bonds5

About 1-phenyl-3,4-dipropylpyrano[3,2-d]pyrazol-6-one

1-phenyl-3,4-dipropylpyrano[3,2-d]pyrazol-6-one (PubChem CID 11601793) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-phenyl-3,4-dipropylpyrano[3,2-d]pyrazol-6-one.

Molecular Properties

Compound Name1-phenyl-3,4-dipropylpyrano[3,2-d]pyrazol-6-one
PubChem CID11601793
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name1-phenyl-3,4-dipropylpyrano[3,2-d]pyrazol-6-one
SMILESCCCc1cc(=O)oc2c1c(CCC)nn2-c1ccccc1
InChIInChI=1S/C18H20N2O2/c1-3-8-13-12-16(21)22-18-17(13)15(9-4-2)19-20(18)14-10-6-5-7-11-14/h5-7,10-12H,3-4,8-9H2,1-2H3
InChIKeyHRRNGKXWKZKVQH-UHFFFAOYSA-N
XLogP3.88
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-phenyl-3,4-dipropylpyrano[3,2-d]pyrazol-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-methylphenyl)-3-propylchromeno[3,4-d]pyrazol-4-one
CID 139225175
1-(4-ethylphenyl)-3,4-dimethylpyrano[3,2-d]pyrazol-6-one
CID 3275580
ethane;5-hydroxy-4-propylchromen-2-one
CID 142017980
ethyl 3-methyl-4-oxo-1-phenylpyrano[3,2-d]pyrazole-6-carboxylate
CID 10851602
1-(4-bromophenyl)-3,4-dimethylpyrano[3,2-d]pyrazol-6-one
CID 555905
1-(4-fluorophenyl)-3,4-dimethylpyrano[3,2-d]pyrazol-6-one
CID 3124110
1-(4-iodophenyl)-3,4-dimethylpyrano[3,2-d]pyrazol-6-one
CID 1021428
3-ethyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 57350625
2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxyacetic acid
CID 662287
1-phenyl-5-propyl-3-pyrazol-1-ylpyrazole
CID 58620949
3,4-dimethyl-9-propylfuro[2,3-f]chromen-7-one
CID 707841
3-(6-methyl-4-oxo-1-phenylpyridazin-3-yl)propanoic acid
CID 82419815

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3,4-dipropylpyrano[3,2-d]pyrazol-6-one?
The IUPAC name of 1-phenyl-3,4-dipropylpyrano[3,2-d]pyrazol-6-one (CID 11601793) is 1-phenyl-3,4-dipropylpyrano[3,2-d]pyrazol-6-one.
What is the SMILES notation for 1-phenyl-3,4-dipropylpyrano[3,2-d]pyrazol-6-one?
The canonical SMILES for 1-phenyl-3,4-dipropylpyrano[3,2-d]pyrazol-6-one is CCCc1cc(=O)oc2c1c(CCC)nn2-c1ccccc1.
What is the InChIKey of 1-phenyl-3,4-dipropylpyrano[3,2-d]pyrazol-6-one?
The InChIKey is HRRNGKXWKZKVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-3-8-13-12-16(21)22-18-17(13)15(9-4-2)19-20(18)14-10-6-5-7-11-14/h5-7,10-12H,3-4,8-9H2,1-2H3.
What are the key properties of 1-phenyl-3,4-dipropylpyrano[3,2-d]pyrazol-6-one?
1-phenyl-3,4-dipropylpyrano[3,2-d]pyrazol-6-one has a molecular weight of 296.37 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3,4-dipropylpyrano[3,2-d]pyrazol-6-one is sourced from PubChem (CID 11601793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).