8-chloro-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole

C13H10ClN3 — CID 135453861

IUPAC8-chloro-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole
SMILESClc1ccc2c3c([nH]c2c1)-c1[nH]ncc1CC3
InChIInChI=1S/C13H10ClN3/c14-8-2-4-9-10-3-1-7-6-15-17-12(7)13(10)16-11(9)5-8/h2,4-6,16H,1,3H2,(H,15,17)
InChIKeyNAPPSJULDWFFQV-UHFFFAOYSA-N
MW243.70 g/mol
LogP3.31
Rot. Bonds

About 8-chloro-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole

8-chloro-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole (PubChem CID 135453861) has the molecular formula C13H10ClN3 and a molecular weight of 243.70 g/mol. Its IUPAC name is 8-chloro-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole.

Molecular Properties

Compound Name8-chloro-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole
PubChem CID135453861
Molecular FormulaC13H10ClN3
Molecular Weight243.70 g/mol
Exact Mass243.06
IUPAC Name8-chloro-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole
SMILESClc1ccc2c3c([nH]c2c1)-c1[nH]ncc1CC3
InChIInChI=1S/C13H10ClN3/c14-8-2-4-9-10-3-1-7-6-15-17-12(7)13(10)16-11(9)5-8/h2,4-6,16H,1,3H2,(H,15,17)
InChIKeyNAPPSJULDWFFQV-UHFFFAOYSA-N
XLogP3.31
TPSA44.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.70
LogP ≤ 53.31
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 8-chloro-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole?
The IUPAC name of 8-chloro-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole (CID 135453861) is 8-chloro-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole.
What is the SMILES notation for 8-chloro-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole?
The canonical SMILES for 8-chloro-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole is Clc1ccc2c3c([nH]c2c1)-c1[nH]ncc1CC3.
What is the InChIKey of 8-chloro-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole?
The InChIKey is NAPPSJULDWFFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3/c14-8-2-4-9-10-3-1-7-6-15-17-12(7)13(10)16-11(9)5-8/h2,4-6,16H,1,3H2,(H,15,17).
What are the key properties of 8-chloro-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole?
8-chloro-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole has a molecular weight of 243.70 g/mol, XLogP of 3.31, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole is sourced from PubChem (CID 135453861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).