7-(3a,7a-dihydro-1H-indazol-5-yl)-9-methyl-8-propyl-3a,6,7,9b-tetrahydro-3H-pyrazolo[4,3-f]quinoline

C21H25N5 — CID 166867849

IUPAC7-(3a,7a-dihydro-1H-indazol-5-yl)-9-methyl-8-propyl-3a,6,7,9b-tetrahydro-3H-pyrazolo[4,3-f]quinoline
SMILESCCCC1=C(C)C2=C(C=CC3NN=CC23)NC1C1=CC2C=NNC2C=C1
InChIInChI=1S/C21H25N5/c1-3-4-15-12(2)20-16-11-23-26-18(16)7-8-19(20)24-21(15)13-5-6-17-14(9-13)10-22-25-17/h5-11,14,16-18,21,24-26H,3-4H2,1-2H3
InChIKeyJUNKACLBQMEHPA-UHFFFAOYSA-N
MW347.47 g/mol
LogP2.54
Rot. Bonds3

About 7-(3a,7a-dihydro-1H-indazol-5-yl)-9-methyl-8-propyl-3a,6,7,9b-tetrahydro-3H-pyrazolo[4,3-f]quinoline

7-(3a,7a-dihydro-1H-indazol-5-yl)-9-methyl-8-propyl-3a,6,7,9b-tetrahydro-3H-pyrazolo[4,3-f]quinoline (PubChem CID 166867849) has the molecular formula C21H25N5 and a molecular weight of 347.47 g/mol. Its IUPAC name is 7-(3a,7a-dihydro-1H-indazol-5-yl)-9-methyl-8-propyl-3a,6,7,9b-tetrahydro-3H-pyrazolo[4,3-f]quinoline.

Molecular Properties

Compound Name7-(3a,7a-dihydro-1H-indazol-5-yl)-9-methyl-8-propyl-3a,6,7,9b-tetrahydro-3H-pyrazolo[4,3-f]quinoline
PubChem CID166867849
Molecular FormulaC21H25N5
Molecular Weight347.47 g/mol
Exact Mass347.21
IUPAC Name7-(3a,7a-dihydro-1H-indazol-5-yl)-9-methyl-8-propyl-3a,6,7,9b-tetrahydro-3H-pyrazolo[4,3-f]quinoline
SMILESCCCC1=C(C)C2=C(C=CC3NN=CC23)NC1C1=CC2C=NNC2C=C1
InChIInChI=1S/C21H25N5/c1-3-4-15-12(2)20-16-11-23-26-18(16)7-8-19(20)24-21(15)13-5-6-17-14(9-13)10-22-25-17/h5-11,14,16-18,21,24-26H,3-4H2,1-2H3
InChIKeyJUNKACLBQMEHPA-UHFFFAOYSA-N
XLogP2.54
TPSA60.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.47
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(3a,7a-dihydro-1H-indazol-5-yl)-9-methyl-8-propyl-3a,6,7,9b-tetrahydro-3H-pyrazolo[4,3-f]quinoline?
The IUPAC name of 7-(3a,7a-dihydro-1H-indazol-5-yl)-9-methyl-8-propyl-3a,6,7,9b-tetrahydro-3H-pyrazolo[4,3-f]quinoline (CID 166867849) is 7-(3a,7a-dihydro-1H-indazol-5-yl)-9-methyl-8-propyl-3a,6,7,9b-tetrahydro-3H-pyrazolo[4,3-f]quinoline.
What is the SMILES notation for 7-(3a,7a-dihydro-1H-indazol-5-yl)-9-methyl-8-propyl-3a,6,7,9b-tetrahydro-3H-pyrazolo[4,3-f]quinoline?
The canonical SMILES for 7-(3a,7a-dihydro-1H-indazol-5-yl)-9-methyl-8-propyl-3a,6,7,9b-tetrahydro-3H-pyrazolo[4,3-f]quinoline is CCCC1=C(C)C2=C(C=CC3NN=CC23)NC1C1=CC2C=NNC2C=C1.
What is the InChIKey of 7-(3a,7a-dihydro-1H-indazol-5-yl)-9-methyl-8-propyl-3a,6,7,9b-tetrahydro-3H-pyrazolo[4,3-f]quinoline?
The InChIKey is JUNKACLBQMEHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5/c1-3-4-15-12(2)20-16-11-23-26-18(16)7-8-19(20)24-21(15)13-5-6-17-14(9-13)10-22-25-17/h5-11,14,16-18,21,24-26H,3-4H2,1-2H3.
What are the key properties of 7-(3a,7a-dihydro-1H-indazol-5-yl)-9-methyl-8-propyl-3a,6,7,9b-tetrahydro-3H-pyrazolo[4,3-f]quinoline?
7-(3a,7a-dihydro-1H-indazol-5-yl)-9-methyl-8-propyl-3a,6,7,9b-tetrahydro-3H-pyrazolo[4,3-f]quinoline has a molecular weight of 347.47 g/mol, XLogP of 2.54, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3a,7a-dihydro-1H-indazol-5-yl)-9-methyl-8-propyl-3a,6,7,9b-tetrahydro-3H-pyrazolo[4,3-f]quinoline is sourced from PubChem (CID 166867849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).