2-[(4-ethylpiperazin-1-yl)methyl]chromeno[4,3-c]pyrazol-4-one

C17H20N4O2 — CID 141412322

IUPAC2-[(4-ethylpiperazin-1-yl)methyl]chromeno[4,3-c]pyrazol-4-one
SMILESCCN1CCN(Cn2cc3c(=O)oc4ccccc4c3n2)CC1
InChIInChI=1S/C17H20N4O2/c1-2-19-7-9-20(10-8-19)12-21-11-14-16(18-21)13-5-3-4-6-15(13)23-17(14)22/h3-6,11H,2,7-10,12H2,1H3
InChIKeyMCCRUJFOXCQSFV-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.74
Rot. Bonds3

About 2-[(4-ethylpiperazin-1-yl)methyl]chromeno[4,3-c]pyrazol-4-one

2-[(4-ethylpiperazin-1-yl)methyl]chromeno[4,3-c]pyrazol-4-one (PubChem CID 141412322) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-[(4-ethylpiperazin-1-yl)methyl]chromeno[4,3-c]pyrazol-4-one.

Molecular Properties

Compound Name2-[(4-ethylpiperazin-1-yl)methyl]chromeno[4,3-c]pyrazol-4-one
PubChem CID141412322
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name2-[(4-ethylpiperazin-1-yl)methyl]chromeno[4,3-c]pyrazol-4-one
SMILESCCN1CCN(Cn2cc3c(=O)oc4ccccc4c3n2)CC1
InChIInChI=1S/C17H20N4O2/c1-2-19-7-9-20(10-8-19)12-21-11-14-16(18-21)13-5-3-4-6-15(13)23-17(14)22/h3-6,11H,2,7-10,12H2,1H3
InChIKeyMCCRUJFOXCQSFV-UHFFFAOYSA-N
XLogP1.74
TPSA54.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylpiperazin-1-yl)methyl]chromeno[4,3-c]pyrazol-4-one?
The IUPAC name of 2-[(4-ethylpiperazin-1-yl)methyl]chromeno[4,3-c]pyrazol-4-one (CID 141412322) is 2-[(4-ethylpiperazin-1-yl)methyl]chromeno[4,3-c]pyrazol-4-one.
What is the SMILES notation for 2-[(4-ethylpiperazin-1-yl)methyl]chromeno[4,3-c]pyrazol-4-one?
The canonical SMILES for 2-[(4-ethylpiperazin-1-yl)methyl]chromeno[4,3-c]pyrazol-4-one is CCN1CCN(Cn2cc3c(=O)oc4ccccc4c3n2)CC1.
What is the InChIKey of 2-[(4-ethylpiperazin-1-yl)methyl]chromeno[4,3-c]pyrazol-4-one?
The InChIKey is MCCRUJFOXCQSFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-2-19-7-9-20(10-8-19)12-21-11-14-16(18-21)13-5-3-4-6-15(13)23-17(14)22/h3-6,11H,2,7-10,12H2,1H3.
What are the key properties of 2-[(4-ethylpiperazin-1-yl)methyl]chromeno[4,3-c]pyrazol-4-one?
2-[(4-ethylpiperazin-1-yl)methyl]chromeno[4,3-c]pyrazol-4-one has a molecular weight of 312.37 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylpiperazin-1-yl)methyl]chromeno[4,3-c]pyrazol-4-one is sourced from PubChem (CID 141412322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).