1-methyl-6,7,8,9-tetrahydro-2H-pyrazolo[4,3-f]isoquinoline

C11H13N3 — CID 140814687

IUPAC1-methyl-6,7,8,9-tetrahydro-2H-pyrazolo[4,3-f]isoquinoline
SMILESCc1[nH]nc2ccc3c(c12)CCNC3
InChIInChI=1S/C11H13N3/c1-7-11-9-4-5-12-6-8(9)2-3-10(11)14-13-7/h2-3,12H,4-6H2,1H3,(H,13,14)
InChIKeySQYOLXHMHGNTGT-UHFFFAOYSA-N
MW187.25 g/mol
LogP1.52
Rot. Bonds

About 1-methyl-6,7,8,9-tetrahydro-2H-pyrazolo[4,3-f]isoquinoline

1-methyl-6,7,8,9-tetrahydro-2H-pyrazolo[4,3-f]isoquinoline (PubChem CID 140814687) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is 1-methyl-6,7,8,9-tetrahydro-2H-pyrazolo[4,3-f]isoquinoline.

Molecular Properties

Compound Name1-methyl-6,7,8,9-tetrahydro-2H-pyrazolo[4,3-f]isoquinoline
PubChem CID140814687
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name1-methyl-6,7,8,9-tetrahydro-2H-pyrazolo[4,3-f]isoquinoline
SMILESCc1[nH]nc2ccc3c(c12)CCNC3
InChIInChI=1S/C11H13N3/c1-7-11-9-4-5-12-6-8(9)2-3-10(11)14-13-7/h2-3,12H,4-6H2,1H3,(H,13,14)
InChIKeySQYOLXHMHGNTGT-UHFFFAOYSA-N
XLogP1.52
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6,7,8,9-tetrahydro-2H-pyrazolo[4,3-f]isoquinoline?
The IUPAC name of 1-methyl-6,7,8,9-tetrahydro-2H-pyrazolo[4,3-f]isoquinoline (CID 140814687) is 1-methyl-6,7,8,9-tetrahydro-2H-pyrazolo[4,3-f]isoquinoline.
What is the SMILES notation for 1-methyl-6,7,8,9-tetrahydro-2H-pyrazolo[4,3-f]isoquinoline?
The canonical SMILES for 1-methyl-6,7,8,9-tetrahydro-2H-pyrazolo[4,3-f]isoquinoline is Cc1[nH]nc2ccc3c(c12)CCNC3.
What is the InChIKey of 1-methyl-6,7,8,9-tetrahydro-2H-pyrazolo[4,3-f]isoquinoline?
The InChIKey is SQYOLXHMHGNTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c1-7-11-9-4-5-12-6-8(9)2-3-10(11)14-13-7/h2-3,12H,4-6H2,1H3,(H,13,14).
What are the key properties of 1-methyl-6,7,8,9-tetrahydro-2H-pyrazolo[4,3-f]isoquinoline?
1-methyl-6,7,8,9-tetrahydro-2H-pyrazolo[4,3-f]isoquinoline has a molecular weight of 187.25 g/mol, XLogP of 1.52, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6,7,8,9-tetrahydro-2H-pyrazolo[4,3-f]isoquinoline is sourced from PubChem (CID 140814687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).