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

C14H13N3 — CID 659102

IUPAC7-methyl-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole
SMILESCc1ccc2[nH]c3c(c2c1)CCc1cn[nH]c1-3
InChIInChI=1S/C14H13N3/c1-8-2-5-12-11(6-8)10-4-3-9-7-15-17-13(9)14(10)16-12/h2,5-7,16H,3-4H2,1H3,(H,15,17)
InChIKeyBEDRASDCVGOBRO-UHFFFAOYSA-N
MW223.28 g/mol
LogP2.97
Rot. Bonds

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

7-methyl-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole (PubChem CID 659102) has the molecular formula C14H13N3 and a molecular weight of 223.28 g/mol. Its IUPAC name is 7-methyl-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole.

Molecular Properties

Compound Name7-methyl-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole
PubChem CID659102
Molecular FormulaC14H13N3
Molecular Weight223.28 g/mol
Exact Mass223.11
IUPAC Name7-methyl-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole
SMILESCc1ccc2[nH]c3c(c2c1)CCc1cn[nH]c1-3
InChIInChI=1S/C14H13N3/c1-8-2-5-12-11(6-8)10-4-3-9-7-15-17-13(9)14(10)16-12/h2,5-7,16H,3-4H2,1H3,(H,15,17)
InChIKeyBEDRASDCVGOBRO-UHFFFAOYSA-N
XLogP2.97
TPSA44.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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-methyl-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole?
The IUPAC name of 7-methyl-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole (CID 659102) is 7-methyl-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole.
What is the SMILES notation for 7-methyl-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole?
The canonical SMILES for 7-methyl-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole is Cc1ccc2[nH]c3c(c2c1)CCc1cn[nH]c1-3.
What is the InChIKey of 7-methyl-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole?
The InChIKey is BEDRASDCVGOBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3/c1-8-2-5-12-11(6-8)10-4-3-9-7-15-17-13(9)14(10)16-12/h2,5-7,16H,3-4H2,1H3,(H,15,17).
What are the key properties of 7-methyl-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole?
7-methyl-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole has a molecular weight of 223.28 g/mol, XLogP of 2.97, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole is sourced from PubChem (CID 659102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).