4-[(Z)-indol-3-ylidenemethyl]-5-propan-2-yloxy-1,2-dihydropyrazol-3-one

C15H15N3O2 — CID 87939151

IUPAC4-[(Z)-indol-3-ylidenemethyl]-5-propan-2-yloxy-1,2-dihydropyrazol-3-one
SMILESCC(C)Oc1[nH][nH]c(=O)c1/C=C1\C=Nc2ccccc21
InChIInChI=1S/C15H15N3O2/c1-9(2)20-15-12(14(19)17-18-15)7-10-8-16-13-6-4-3-5-11(10)13/h3-9H,1-2H3,(H2,17,18,19)/b10-7+
InChIKeyQKPDVBMGXRXXAH-JXMROGBWSA-N
MW269.30 g/mol
LogP2.75
Rot. Bonds3

About 4-[(Z)-indol-3-ylidenemethyl]-5-propan-2-yloxy-1,2-dihydropyrazol-3-one

4-[(Z)-indol-3-ylidenemethyl]-5-propan-2-yloxy-1,2-dihydropyrazol-3-one (PubChem CID 87939151) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 4-[(Z)-indol-3-ylidenemethyl]-5-propan-2-yloxy-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name4-[(Z)-indol-3-ylidenemethyl]-5-propan-2-yloxy-1,2-dihydropyrazol-3-one
PubChem CID87939151
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name4-[(Z)-indol-3-ylidenemethyl]-5-propan-2-yloxy-1,2-dihydropyrazol-3-one
SMILESCC(C)Oc1[nH][nH]c(=O)c1/C=C1\C=Nc2ccccc21
InChIInChI=1S/C15H15N3O2/c1-9(2)20-15-12(14(19)17-18-15)7-10-8-16-13-6-4-3-5-11(10)13/h3-9H,1-2H3,(H2,17,18,19)/b10-7+
InChIKeyQKPDVBMGXRXXAH-JXMROGBWSA-N
XLogP2.75
TPSA70.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-indol-3-ylidenemethyl]-5-propan-2-yloxy-1,2-dihydropyrazol-3-one?
The IUPAC name of 4-[(Z)-indol-3-ylidenemethyl]-5-propan-2-yloxy-1,2-dihydropyrazol-3-one (CID 87939151) is 4-[(Z)-indol-3-ylidenemethyl]-5-propan-2-yloxy-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 4-[(Z)-indol-3-ylidenemethyl]-5-propan-2-yloxy-1,2-dihydropyrazol-3-one?
The canonical SMILES for 4-[(Z)-indol-3-ylidenemethyl]-5-propan-2-yloxy-1,2-dihydropyrazol-3-one is CC(C)Oc1[nH][nH]c(=O)c1/C=C1\C=Nc2ccccc21.
What is the InChIKey of 4-[(Z)-indol-3-ylidenemethyl]-5-propan-2-yloxy-1,2-dihydropyrazol-3-one?
The InChIKey is QKPDVBMGXRXXAH-JXMROGBWSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-9(2)20-15-12(14(19)17-18-15)7-10-8-16-13-6-4-3-5-11(10)13/h3-9H,1-2H3,(H2,17,18,19)/b10-7+.
What are the key properties of 4-[(Z)-indol-3-ylidenemethyl]-5-propan-2-yloxy-1,2-dihydropyrazol-3-one?
4-[(Z)-indol-3-ylidenemethyl]-5-propan-2-yloxy-1,2-dihydropyrazol-3-one has a molecular weight of 269.30 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-indol-3-ylidenemethyl]-5-propan-2-yloxy-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 87939151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).