5-ethyl-7-(3-pyrazol-1-ylphenyl)-2,3,3a,5a,6,7,8,9,9a,9b-decahydro-1H-pyrazolo[4,3-c]quinolin-4-one

C21H27N5O — CID 78103953

IUPAC5-ethyl-7-(3-pyrazol-1-ylphenyl)-2,3,3a,5a,6,7,8,9,9a,9b-decahydro-1H-pyrazolo[4,3-c]quinolin-4-one
SMILESCCN1C(=O)C2CNNC2C2CCC(c3cccc(-n4cccn4)c3)CC21
InChIInChI=1S/C21H27N5O/c1-2-25-19-12-15(7-8-17(19)20-18(21(25)27)13-22-24-20)14-5-3-6-16(11-14)26-10-4-9-23-26/h3-6,9-11,15,17-20,22,24H,2,7-8,12-13H2,1H3
InChIKeyMRNSJQQXBBTGBN-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.08
Rot. Bonds3

About 5-ethyl-7-(3-pyrazol-1-ylphenyl)-2,3,3a,5a,6,7,8,9,9a,9b-decahydro-1H-pyrazolo[4,3-c]quinolin-4-one

5-ethyl-7-(3-pyrazol-1-ylphenyl)-2,3,3a,5a,6,7,8,9,9a,9b-decahydro-1H-pyrazolo[4,3-c]quinolin-4-one (PubChem CID 78103953) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is 5-ethyl-7-(3-pyrazol-1-ylphenyl)-2,3,3a,5a,6,7,8,9,9a,9b-decahydro-1H-pyrazolo[4,3-c]quinolin-4-one.

Molecular Properties

Compound Name5-ethyl-7-(3-pyrazol-1-ylphenyl)-2,3,3a,5a,6,7,8,9,9a,9b-decahydro-1H-pyrazolo[4,3-c]quinolin-4-one
PubChem CID78103953
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC Name5-ethyl-7-(3-pyrazol-1-ylphenyl)-2,3,3a,5a,6,7,8,9,9a,9b-decahydro-1H-pyrazolo[4,3-c]quinolin-4-one
SMILESCCN1C(=O)C2CNNC2C2CCC(c3cccc(-n4cccn4)c3)CC21
InChIInChI=1S/C21H27N5O/c1-2-25-19-12-15(7-8-17(19)20-18(21(25)27)13-22-24-20)14-5-3-6-16(11-14)26-10-4-9-23-26/h3-6,9-11,15,17-20,22,24H,2,7-8,12-13H2,1H3
InChIKeyMRNSJQQXBBTGBN-UHFFFAOYSA-N
XLogP2.08
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-ethyl-7-(3-pyrazol-1-ylphenyl)-2,3,3a,5a,6,7,8,9,9a,9b-decahydro-1H-pyrazolo[4,3-c]quinolin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-7-(3-pyrazol-1-ylphenyl)-2,3,3a,5a,6,7,8,9,9a,9b-decahydro-1H-pyrazolo[4,3-c]quinolin-4-one?
The IUPAC name of 5-ethyl-7-(3-pyrazol-1-ylphenyl)-2,3,3a,5a,6,7,8,9,9a,9b-decahydro-1H-pyrazolo[4,3-c]quinolin-4-one (CID 78103953) is 5-ethyl-7-(3-pyrazol-1-ylphenyl)-2,3,3a,5a,6,7,8,9,9a,9b-decahydro-1H-pyrazolo[4,3-c]quinolin-4-one.
What is the SMILES notation for 5-ethyl-7-(3-pyrazol-1-ylphenyl)-2,3,3a,5a,6,7,8,9,9a,9b-decahydro-1H-pyrazolo[4,3-c]quinolin-4-one?
The canonical SMILES for 5-ethyl-7-(3-pyrazol-1-ylphenyl)-2,3,3a,5a,6,7,8,9,9a,9b-decahydro-1H-pyrazolo[4,3-c]quinolin-4-one is CCN1C(=O)C2CNNC2C2CCC(c3cccc(-n4cccn4)c3)CC21.
What is the InChIKey of 5-ethyl-7-(3-pyrazol-1-ylphenyl)-2,3,3a,5a,6,7,8,9,9a,9b-decahydro-1H-pyrazolo[4,3-c]quinolin-4-one?
The InChIKey is MRNSJQQXBBTGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O/c1-2-25-19-12-15(7-8-17(19)20-18(21(25)27)13-22-24-20)14-5-3-6-16(11-14)26-10-4-9-23-26/h3-6,9-11,15,17-20,22,24H,2,7-8,12-13H2,1H3.
What are the key properties of 5-ethyl-7-(3-pyrazol-1-ylphenyl)-2,3,3a,5a,6,7,8,9,9a,9b-decahydro-1H-pyrazolo[4,3-c]quinolin-4-one?
5-ethyl-7-(3-pyrazol-1-ylphenyl)-2,3,3a,5a,6,7,8,9,9a,9b-decahydro-1H-pyrazolo[4,3-c]quinolin-4-one has a molecular weight of 365.48 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-7-(3-pyrazol-1-ylphenyl)-2,3,3a,5a,6,7,8,9,9a,9b-decahydro-1H-pyrazolo[4,3-c]quinolin-4-one is sourced from PubChem (CID 78103953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).