7-methoxy-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole

C14H13N3O — CID 135469330

IUPAC7-methoxy-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole
SMILESCOc1ccc2[nH]c3c(c2c1)CCc1cn[nH]c1-3
InChIInChI=1S/C14H13N3O/c1-18-9-3-5-12-11(6-9)10-4-2-8-7-15-17-13(8)14(10)16-12/h3,5-7,16H,2,4H2,1H3,(H,15,17)
InChIKeyDWXKPCSGXWQVPL-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.67
Rot. Bonds1

About 7-methoxy-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole

7-methoxy-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole (PubChem CID 135469330) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 7-methoxy-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole.

Molecular Properties

Compound Name7-methoxy-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole
PubChem CID135469330
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name7-methoxy-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole
SMILESCOc1ccc2[nH]c3c(c2c1)CCc1cn[nH]c1-3
InChIInChI=1S/C14H13N3O/c1-18-9-3-5-12-11(6-9)10-4-2-8-7-15-17-13(8)14(10)16-12/h3,5-7,16H,2,4H2,1H3,(H,15,17)
InChIKeyDWXKPCSGXWQVPL-UHFFFAOYSA-N
XLogP2.67
TPSA53.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole?
The IUPAC name of 7-methoxy-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole (CID 135469330) is 7-methoxy-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole.
What is the SMILES notation for 7-methoxy-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole?
The canonical SMILES for 7-methoxy-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole is COc1ccc2[nH]c3c(c2c1)CCc1cn[nH]c1-3.
What is the InChIKey of 7-methoxy-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole?
The InChIKey is DWXKPCSGXWQVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-18-9-3-5-12-11(6-9)10-4-2-8-7-15-17-13(8)14(10)16-12/h3,5-7,16H,2,4H2,1H3,(H,15,17).
What are the key properties of 7-methoxy-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole?
7-methoxy-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole has a molecular weight of 239.28 g/mol, XLogP of 2.67, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole is sourced from PubChem (CID 135469330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).