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

C14H13N3O — CID 135474212

IUPAC6-methoxy-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole
SMILESCOc1cccc2[nH]c3c(c12)CCc1cn[nH]c1-3
InChIInChI=1S/C14H13N3O/c1-18-11-4-2-3-10-12(11)9-6-5-8-7-15-17-13(8)14(9)16-10/h2-4,7,16H,5-6H2,1H3,(H,15,17)
InChIKeyRBAUINYBDBXBTM-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.67
Rot. Bonds1

About 6-methoxy-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole

6-methoxy-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole (PubChem CID 135474212) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 6-methoxy-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole.

Molecular Properties

Compound Name6-methoxy-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole
PubChem CID135474212
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name6-methoxy-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole
SMILESCOc1cccc2[nH]c3c(c12)CCc1cn[nH]c1-3
InChIInChI=1S/C14H13N3O/c1-18-11-4-2-3-10-12(11)9-6-5-8-7-15-17-13(8)14(9)16-10/h2-4,7,16H,5-6H2,1H3,(H,15,17)
InChIKeyRBAUINYBDBXBTM-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

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole?
The IUPAC name of 6-methoxy-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole (CID 135474212) is 6-methoxy-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole.
What is the SMILES notation for 6-methoxy-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole?
The canonical SMILES for 6-methoxy-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole is COc1cccc2[nH]c3c(c12)CCc1cn[nH]c1-3.
What is the InChIKey of 6-methoxy-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole?
The InChIKey is RBAUINYBDBXBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-18-11-4-2-3-10-12(11)9-6-5-8-7-15-17-13(8)14(9)16-10/h2-4,7,16H,5-6H2,1H3,(H,15,17).
What are the key properties of 6-methoxy-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole?
6-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 6-methoxy-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole is sourced from PubChem (CID 135474212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).