2-cyclohexyl-5-pentylpyrazolo[4,3-c]quinolin-3-one

C21H27N3O — CID 118577940

IUPAC2-cyclohexyl-5-pentylpyrazolo[4,3-c]quinolin-3-one
SMILESCCCCCn1cc2c(=O)n(C3CCCCC3)nc-2c2ccccc21
InChIInChI=1S/C21H27N3O/c1-2-3-9-14-23-15-18-20(17-12-7-8-13-19(17)23)22-24(21(18)25)16-10-5-4-6-11-16/h7-8,12-13,15-16H,2-6,9-11,14H2,1H3
InChIKeyNYCQKVYRXZMKRZ-UHFFFAOYSA-N
MW337.47 g/mol
LogP5.00
Rot. Bonds5

About 2-cyclohexyl-5-pentylpyrazolo[4,3-c]quinolin-3-one

2-cyclohexyl-5-pentylpyrazolo[4,3-c]quinolin-3-one (PubChem CID 118577940) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is 2-cyclohexyl-5-pentylpyrazolo[4,3-c]quinolin-3-one.

Molecular Properties

Compound Name2-cyclohexyl-5-pentylpyrazolo[4,3-c]quinolin-3-one
PubChem CID118577940
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Name2-cyclohexyl-5-pentylpyrazolo[4,3-c]quinolin-3-one
SMILESCCCCCn1cc2c(=O)n(C3CCCCC3)nc-2c2ccccc21
InChIInChI=1S/C21H27N3O/c1-2-3-9-14-23-15-18-20(17-12-7-8-13-19(17)23)22-24(21(18)25)16-10-5-4-6-11-16/h7-8,12-13,15-16H,2-6,9-11,14H2,1H3
InChIKeyNYCQKVYRXZMKRZ-UHFFFAOYSA-N
XLogP5.00
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-5-pentylpyrazolo[4,3-c]quinolin-3-one?
The IUPAC name of 2-cyclohexyl-5-pentylpyrazolo[4,3-c]quinolin-3-one (CID 118577940) is 2-cyclohexyl-5-pentylpyrazolo[4,3-c]quinolin-3-one.
What is the SMILES notation for 2-cyclohexyl-5-pentylpyrazolo[4,3-c]quinolin-3-one?
The canonical SMILES for 2-cyclohexyl-5-pentylpyrazolo[4,3-c]quinolin-3-one is CCCCCn1cc2c(=O)n(C3CCCCC3)nc-2c2ccccc21.
What is the InChIKey of 2-cyclohexyl-5-pentylpyrazolo[4,3-c]quinolin-3-one?
The InChIKey is NYCQKVYRXZMKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c1-2-3-9-14-23-15-18-20(17-12-7-8-13-19(17)23)22-24(21(18)25)16-10-5-4-6-11-16/h7-8,12-13,15-16H,2-6,9-11,14H2,1H3.
What are the key properties of 2-cyclohexyl-5-pentylpyrazolo[4,3-c]quinolin-3-one?
2-cyclohexyl-5-pentylpyrazolo[4,3-c]quinolin-3-one has a molecular weight of 337.47 g/mol, XLogP of 5.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-5-pentylpyrazolo[4,3-c]quinolin-3-one is sourced from PubChem (CID 118577940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).