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

C13H10ClN3 — CID 829981

IUPAC7-chloro-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole
SMILESClc1ccc2[nH]c3c(c2c1)CCc1cn[nH]c1-3
InChIInChI=1S/C13H10ClN3/c14-8-2-4-11-10(5-8)9-3-1-7-6-15-17-12(7)13(9)16-11/h2,4-6,16H,1,3H2,(H,15,17)
InChIKeyPLOLFTFTXWLIRO-UHFFFAOYSA-N
MW243.70 g/mol
LogP3.31
Rot. Bonds

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

7-chloro-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole (PubChem CID 829981) has the molecular formula C13H10ClN3 and a molecular weight of 243.70 g/mol. Its IUPAC name is 7-chloro-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole.

Molecular Properties

Compound Name7-chloro-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole
PubChem CID829981
Molecular FormulaC13H10ClN3
Molecular Weight243.70 g/mol
Exact Mass243.06
IUPAC Name7-chloro-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole
SMILESClc1ccc2[nH]c3c(c2c1)CCc1cn[nH]c1-3
InChIInChI=1S/C13H10ClN3/c14-8-2-4-11-10(5-8)9-3-1-7-6-15-17-12(7)13(9)16-11/h2,4-6,16H,1,3H2,(H,15,17)
InChIKeyPLOLFTFTXWLIRO-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 7-chloro-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole?
The IUPAC name of 7-chloro-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole (CID 829981) is 7-chloro-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole.
What is the SMILES notation for 7-chloro-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole?
The canonical SMILES for 7-chloro-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole is Clc1ccc2[nH]c3c(c2c1)CCc1cn[nH]c1-3.
What is the InChIKey of 7-chloro-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole?
The InChIKey is PLOLFTFTXWLIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3/c14-8-2-4-11-10(5-8)9-3-1-7-6-15-17-12(7)13(9)16-11/h2,4-6,16H,1,3H2,(H,15,17).
What are the key properties of 7-chloro-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole?
7-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 7-chloro-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole is sourced from PubChem (CID 829981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).