3-methyl-2,4,5,10-tetrahydropyrazolo[3,4-a]carbazole

C14H13N3 — CID 135929094

IUPAC3-methyl-2,4,5,10-tetrahydropyrazolo[3,4-a]carbazole
SMILESCc1[nH]nc2c1CCc1c-2[nH]c2ccccc12
InChIInChI=1S/C14H13N3/c1-8-9-6-7-11-10-4-2-3-5-12(10)15-13(11)14(9)17-16-8/h2-5,15H,6-7H2,1H3,(H,16,17)
InChIKeyHIJHIBWSHVXXGO-UHFFFAOYSA-N
MW223.28 g/mol
LogP2.97
Rot. Bonds

About 3-methyl-2,4,5,10-tetrahydropyrazolo[3,4-a]carbazole

3-methyl-2,4,5,10-tetrahydropyrazolo[3,4-a]carbazole (PubChem CID 135929094) has the molecular formula C14H13N3 and a molecular weight of 223.28 g/mol. Its IUPAC name is 3-methyl-2,4,5,10-tetrahydropyrazolo[3,4-a]carbazole.

Molecular Properties

Compound Name3-methyl-2,4,5,10-tetrahydropyrazolo[3,4-a]carbazole
PubChem CID135929094
Molecular FormulaC14H13N3
Molecular Weight223.28 g/mol
Exact Mass223.11
IUPAC Name3-methyl-2,4,5,10-tetrahydropyrazolo[3,4-a]carbazole
SMILESCc1[nH]nc2c1CCc1c-2[nH]c2ccccc12
InChIInChI=1S/C14H13N3/c1-8-9-6-7-11-10-4-2-3-5-12(10)15-13(11)14(9)17-16-8/h2-5,15H,6-7H2,1H3,(H,16,17)
InChIKeyHIJHIBWSHVXXGO-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 3-methyl-2,4,5,10-tetrahydropyrazolo[3,4-a]carbazole?
The IUPAC name of 3-methyl-2,4,5,10-tetrahydropyrazolo[3,4-a]carbazole (CID 135929094) is 3-methyl-2,4,5,10-tetrahydropyrazolo[3,4-a]carbazole.
What is the SMILES notation for 3-methyl-2,4,5,10-tetrahydropyrazolo[3,4-a]carbazole?
The canonical SMILES for 3-methyl-2,4,5,10-tetrahydropyrazolo[3,4-a]carbazole is Cc1[nH]nc2c1CCc1c-2[nH]c2ccccc12.
What is the InChIKey of 3-methyl-2,4,5,10-tetrahydropyrazolo[3,4-a]carbazole?
The InChIKey is HIJHIBWSHVXXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3/c1-8-9-6-7-11-10-4-2-3-5-12(10)15-13(11)14(9)17-16-8/h2-5,15H,6-7H2,1H3,(H,16,17).
What are the key properties of 3-methyl-2,4,5,10-tetrahydropyrazolo[3,4-a]carbazole?
3-methyl-2,4,5,10-tetrahydropyrazolo[3,4-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 3-methyl-2,4,5,10-tetrahydropyrazolo[3,4-a]carbazole is sourced from PubChem (CID 135929094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).