1-(3-aminophenyl)-3-methyl-7-propoxychromeno[3,2-d]pyrazol-4-one

C20H19N3O3 — CID 10405522

IUPAC1-(3-aminophenyl)-3-methyl-7-propoxychromeno[3,2-d]pyrazol-4-one
SMILESCCCOc1ccc2c(=O)c3c(C)nn(-c4cccc(N)c4)c3oc2c1
InChIInChI=1S/C20H19N3O3/c1-3-9-25-15-7-8-16-17(11-15)26-20-18(19(16)24)12(2)22-23(20)14-6-4-5-13(21)10-14/h4-8,10-11H,3,9,21H2,1-2H3
InChIKeyCNVCMHBGCYLUSY-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.81
Rot. Bonds4

About 1-(3-aminophenyl)-3-methyl-7-propoxychromeno[3,2-d]pyrazol-4-one

1-(3-aminophenyl)-3-methyl-7-propoxychromeno[3,2-d]pyrazol-4-one (PubChem CID 10405522) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 1-(3-aminophenyl)-3-methyl-7-propoxychromeno[3,2-d]pyrazol-4-one.

Molecular Properties

Compound Name1-(3-aminophenyl)-3-methyl-7-propoxychromeno[3,2-d]pyrazol-4-one
PubChem CID10405522
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name1-(3-aminophenyl)-3-methyl-7-propoxychromeno[3,2-d]pyrazol-4-one
SMILESCCCOc1ccc2c(=O)c3c(C)nn(-c4cccc(N)c4)c3oc2c1
InChIInChI=1S/C20H19N3O3/c1-3-9-25-15-7-8-16-17(11-15)26-20-18(19(16)24)12(2)22-23(20)14-6-4-5-13(21)10-14/h4-8,10-11H,3,9,21H2,1-2H3
InChIKeyCNVCMHBGCYLUSY-UHFFFAOYSA-N
XLogP3.81
TPSA83.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-3-methyl-7-propoxychromeno[3,2-d]pyrazol-4-one?
The IUPAC name of 1-(3-aminophenyl)-3-methyl-7-propoxychromeno[3,2-d]pyrazol-4-one (CID 10405522) is 1-(3-aminophenyl)-3-methyl-7-propoxychromeno[3,2-d]pyrazol-4-one.
What is the SMILES notation for 1-(3-aminophenyl)-3-methyl-7-propoxychromeno[3,2-d]pyrazol-4-one?
The canonical SMILES for 1-(3-aminophenyl)-3-methyl-7-propoxychromeno[3,2-d]pyrazol-4-one is CCCOc1ccc2c(=O)c3c(C)nn(-c4cccc(N)c4)c3oc2c1.
What is the InChIKey of 1-(3-aminophenyl)-3-methyl-7-propoxychromeno[3,2-d]pyrazol-4-one?
The InChIKey is CNVCMHBGCYLUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-3-9-25-15-7-8-16-17(11-15)26-20-18(19(16)24)12(2)22-23(20)14-6-4-5-13(21)10-14/h4-8,10-11H,3,9,21H2,1-2H3.
What are the key properties of 1-(3-aminophenyl)-3-methyl-7-propoxychromeno[3,2-d]pyrazol-4-one?
1-(3-aminophenyl)-3-methyl-7-propoxychromeno[3,2-d]pyrazol-4-one has a molecular weight of 349.39 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-3-methyl-7-propoxychromeno[3,2-d]pyrazol-4-one is sourced from PubChem (CID 10405522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).