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

C16H15N3 — CID 135929095

IUPAC3-cyclopropyl-2,4,5,10-tetrahydropyrazolo[3,4-a]carbazole
SMILESc1ccc2c3c([nH]c2c1)-c1n[nH]c(C2CC2)c1CC3
InChIInChI=1S/C16H15N3/c1-2-4-13-10(3-1)11-7-8-12-14(9-5-6-9)18-19-16(12)15(11)17-13/h1-4,9,17H,5-8H2,(H,18,19)
InChIKeyUFESQQQWTVKFRP-UHFFFAOYSA-N
MW249.32 g/mol
LogP3.53
Rot. Bonds1

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

3-cyclopropyl-2,4,5,10-tetrahydropyrazolo[3,4-a]carbazole (PubChem CID 135929095) has the molecular formula C16H15N3 and a molecular weight of 249.32 g/mol. Its IUPAC name is 3-cyclopropyl-2,4,5,10-tetrahydropyrazolo[3,4-a]carbazole.

Molecular Properties

Compound Name3-cyclopropyl-2,4,5,10-tetrahydropyrazolo[3,4-a]carbazole
PubChem CID135929095
Molecular FormulaC16H15N3
Molecular Weight249.32 g/mol
Exact Mass249.13
IUPAC Name3-cyclopropyl-2,4,5,10-tetrahydropyrazolo[3,4-a]carbazole
SMILESc1ccc2c3c([nH]c2c1)-c1n[nH]c(C2CC2)c1CC3
InChIInChI=1S/C16H15N3/c1-2-4-13-10(3-1)11-7-8-12-14(9-5-6-9)18-19-16(12)15(11)17-13/h1-4,9,17H,5-8H2,(H,18,19)
InChIKeyUFESQQQWTVKFRP-UHFFFAOYSA-N
XLogP3.53
TPSA44.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 53.53
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

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
3-(1H-indol-2-yl)-6-(1H-1,2,3,4-tetrazol-5-yl)-1H-indazole
CID 135418209
6-Phenyl-3-[5-(piperidin-1-ylmethyl)-1h-indol-2-yl]-1h-indazole
CID 135559068
2-(5-Methyl-1H-pyrazol-3-yl)-1H-indole
CID 135929097
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
2-(1H-indol-2-ylmethyl)-1H-indole
CID 10752953
5-Methyl-3,4,16-triazatetracyclo[7.7.0.0^{2,6}.0^{10,15}]hexadeca-1(9),2,5,10,12,14-hexaene
CID 135929094
13-Methyl-8,11,12-triazatetracyclo[7.6.0.0^{2,7}.0^{10,14}]pentadeca-1(9),2,4,6,10,13-hexaene
CID 135929098
3-(3,5-dimethyl-1H-pyrazol-1-yl)-2-methyl-1H-indole
CID 4266993
7,10-Dimethyl-2,4,5,10-tetrahydropyrazolo[3,4-a]carbazole
CID 1207791

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-2,4,5,10-tetrahydropyrazolo[3,4-a]carbazole?
The IUPAC name of 3-cyclopropyl-2,4,5,10-tetrahydropyrazolo[3,4-a]carbazole (CID 135929095) is 3-cyclopropyl-2,4,5,10-tetrahydropyrazolo[3,4-a]carbazole.
What is the SMILES notation for 3-cyclopropyl-2,4,5,10-tetrahydropyrazolo[3,4-a]carbazole?
The canonical SMILES for 3-cyclopropyl-2,4,5,10-tetrahydropyrazolo[3,4-a]carbazole is c1ccc2c3c([nH]c2c1)-c1n[nH]c(C2CC2)c1CC3.
What is the InChIKey of 3-cyclopropyl-2,4,5,10-tetrahydropyrazolo[3,4-a]carbazole?
The InChIKey is UFESQQQWTVKFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3/c1-2-4-13-10(3-1)11-7-8-12-14(9-5-6-9)18-19-16(12)15(11)17-13/h1-4,9,17H,5-8H2,(H,18,19).
What are the key properties of 3-cyclopropyl-2,4,5,10-tetrahydropyrazolo[3,4-a]carbazole?
3-cyclopropyl-2,4,5,10-tetrahydropyrazolo[3,4-a]carbazole has a molecular weight of 249.32 g/mol, XLogP of 3.53, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-2,4,5,10-tetrahydropyrazolo[3,4-a]carbazole is sourced from PubChem (CID 135929095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).