2-propylchromeno[4,3-c]pyrazol-4-one

C13H12N2O2 — CID 139191793

IUPAC2-propylchromeno[4,3-c]pyrazol-4-one
SMILESCCCn1cc2c(=O)oc3ccccc3c2n1
InChIInChI=1S/C13H12N2O2/c1-2-7-15-8-10-12(14-15)9-5-3-4-6-11(9)17-13(10)16/h3-6,8H,2,7H2,1H3
InChIKeyCUKYIRCMUGRRQP-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.55
Rot. Bonds2

About 2-propylchromeno[4,3-c]pyrazol-4-one

2-propylchromeno[4,3-c]pyrazol-4-one (PubChem CID 139191793) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is 2-propylchromeno[4,3-c]pyrazol-4-one.

Molecular Properties

Compound Name2-propylchromeno[4,3-c]pyrazol-4-one
PubChem CID139191793
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name2-propylchromeno[4,3-c]pyrazol-4-one
SMILESCCCn1cc2c(=O)oc3ccccc3c2n1
InChIInChI=1S/C13H12N2O2/c1-2-7-15-8-10-12(14-15)9-5-3-4-6-11(9)17-13(10)16/h3-6,8H,2,7H2,1H3
InChIKeyCUKYIRCMUGRRQP-UHFFFAOYSA-N
XLogP2.55
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-propylchromeno[4,3-c]pyrazol-4-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

3-methyl-1-phenyl-1H,4H-chromeno[4,3-c]pyrazol-4-one
CID 2793709
3-methyl-2-phenylchromeno[4,3-c]pyrazol-4(2H)-one
CID 15569045
1-Ethylchromeno[3,4-d]triazol-4-one
CID 805720
1-benzyl-3-(3-methoxyphenyl)-1H-pyrazole-4-carboxylic acid
CID 2608796
ST51001558
CID 342056
2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 5309822
1-[2-[4-(3-Methoxyphenyl)piperazin-1-yl]-2-oxoethyl]chromeno[3,4-d]pyrazol-4-one
CID 16009565
3-(2-oxo-2H-chromen-3-yl)-1-phenyl-1H-pyrazole-4-carbaldehyde
CID 818150
methyl 3-(4-methoxyphenyl)-1-phenyl-1H-pyrazole-4-carboxylate
CID 740223
3-(2-oxo-2H-chromen-3-yl)-1-phenyl-1H-pyrazole-4-carboxamide
CID 976991
2,3-dimethylphenyl 1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylate
CID 1489947
1-sec-Butyl-1H-5-oxa-1,2,3-triaza-cyclopenta[a]naphthalen-4-one
CID 3145905

Frequently Asked Questions

What is the IUPAC name of 2-propylchromeno[4,3-c]pyrazol-4-one?
The IUPAC name of 2-propylchromeno[4,3-c]pyrazol-4-one (CID 139191793) is 2-propylchromeno[4,3-c]pyrazol-4-one.
What is the SMILES notation for 2-propylchromeno[4,3-c]pyrazol-4-one?
The canonical SMILES for 2-propylchromeno[4,3-c]pyrazol-4-one is CCCn1cc2c(=O)oc3ccccc3c2n1.
What is the InChIKey of 2-propylchromeno[4,3-c]pyrazol-4-one?
The InChIKey is CUKYIRCMUGRRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c1-2-7-15-8-10-12(14-15)9-5-3-4-6-11(9)17-13(10)16/h3-6,8H,2,7H2,1H3.
What are the key properties of 2-propylchromeno[4,3-c]pyrazol-4-one?
2-propylchromeno[4,3-c]pyrazol-4-one has a molecular weight of 228.25 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylchromeno[4,3-c]pyrazol-4-one is sourced from PubChem (CID 139191793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).