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

C13H10FN3 — CID 135526960

IUPAC7-fluoro-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole
SMILESFc1ccc2[nH]c3c(c2c1)CCc1cn[nH]c1-3
InChIInChI=1S/C13H10FN3/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)
InChIKeyOATRVESVKDIUOS-UHFFFAOYSA-N
MW227.24 g/mol
LogP2.80
Rot. Bonds

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

7-fluoro-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole (PubChem CID 135526960) has the molecular formula C13H10FN3 and a molecular weight of 227.24 g/mol. Its IUPAC name is 7-fluoro-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole.

Molecular Properties

Compound Name7-fluoro-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole
PubChem CID135526960
Molecular FormulaC13H10FN3
Molecular Weight227.24 g/mol
Exact Mass227.09
IUPAC Name7-fluoro-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole
SMILESFc1ccc2[nH]c3c(c2c1)CCc1cn[nH]c1-3
InChIInChI=1S/C13H10FN3/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)
InChIKeyOATRVESVKDIUOS-UHFFFAOYSA-N
XLogP2.80
TPSA44.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 52.80
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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Related Compounds

3-pyridin-4-yl-1H-indazole
CID 12412578
2,4,5,10-Tetrahydropyrazolo[3,4-a]carbazole
CID 645436
4,5,6,11-Tetrahydro-1h-Pyrazolo[4',3':6,7]cyclohepta[1,2-B]indole
CID 135566619
4-(3-methylpyridin-4-yl)-6-(trifluoromethyl)-1H-indazole
CID 71735206
2-(5-Methyl-1H-pyrazol-3-yl)-1H-indole
CID 135929097
7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine
CID 142445421
CID 150939945
CID 150939945
5-fluoro-1-methyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine
CID 155151783
5-fluoro-3-[3-[4-[4-fluoro-2-(1H-pyrazol-4-yl)phenyl]piperazin-1-yl]propyl]-1H-indole
CID 155552188
7-Methyl-1,2,4,5-tetrahydropyrazolo[3,4-a]carbazole
CID 659102
7-Chloro-1,2,4,5-tetrahydropyrazolo[3,4-a]carbazole
CID 829981
6-[1-methyl-3-(pyridin-4-yl)-1H-pyrazol-4-yl]-1H-indazole
CID 25093328

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole?
The IUPAC name of 7-fluoro-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole (CID 135526960) is 7-fluoro-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole.
What is the SMILES notation for 7-fluoro-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole?
The canonical SMILES for 7-fluoro-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole is Fc1ccc2[nH]c3c(c2c1)CCc1cn[nH]c1-3.
What is the InChIKey of 7-fluoro-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole?
The InChIKey is OATRVESVKDIUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3/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-fluoro-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole?
7-fluoro-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole has a molecular weight of 227.24 g/mol, XLogP of 2.80, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole is sourced from PubChem (CID 135526960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).