N-[2-(1H-imidazol-5-yl)ethyl]-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-8-carboxamide

C19H18N6O — CID 135511967

IUPACN-[2-(1H-imidazol-5-yl)ethyl]-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-8-carboxamide
SMILESO=C(NCCc1cnc[nH]1)c1ccc2c3c([nH]c2c1)-c1[nH]ncc1CC3
InChIInChI=1S/C19H18N6O/c26-19(21-6-5-13-9-20-10-22-13)11-1-3-14-15-4-2-12-8-23-25-17(12)18(15)24-16(14)7-11/h1,3,7-10,24H,2,4-6H2,(H,20,22)(H,21,26)(H,23,25)
InChIKeyCWJJIRNEIWCTTH-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.35
Rot. Bonds4

About N-[2-(1H-imidazol-5-yl)ethyl]-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-8-carboxamide

N-[2-(1H-imidazol-5-yl)ethyl]-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-8-carboxamide (PubChem CID 135511967) has the molecular formula C19H18N6O and a molecular weight of 346.39 g/mol. Its IUPAC name is N-[2-(1H-imidazol-5-yl)ethyl]-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-8-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-5-yl)ethyl]-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-8-carboxamide
PubChem CID135511967
Molecular FormulaC19H18N6O
Molecular Weight346.39 g/mol
Exact Mass346.15
IUPAC NameN-[2-(1H-imidazol-5-yl)ethyl]-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-8-carboxamide
SMILESO=C(NCCc1cnc[nH]1)c1ccc2c3c([nH]c2c1)-c1[nH]ncc1CC3
InChIInChI=1S/C19H18N6O/c26-19(21-6-5-13-9-20-10-22-13)11-1-3-14-15-4-2-12-8-23-25-17(12)18(15)24-16(14)7-11/h1,3,7-10,24H,2,4-6H2,(H,20,22)(H,21,26)(H,23,25)
InChIKeyCWJJIRNEIWCTTH-UHFFFAOYSA-N
XLogP2.35
TPSA102.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-[2-(1H-imidazol-5-yl)ethyl]-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-7-carboxamide
CID 135474390
N-(2-anilinoethyl)-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-7-carboxamide
CID 135465614
4-(hydroxymethyl)-N-[2-(1H-imidazol-5-yl)ethyl]benzamide
CID 65231177
N-[2-(1H-imidazol-5-yl)ethyl]-4-sulfamoylbenzamide
CID 10851318
N-[2-(1H-imidazol-5-yl)ethyl]-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102712481
2-hydrazinyl-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-4-carboxamide
CID 65236308
N-[2-(1H-imidazol-5-yl)ethyl]-1-benzothiophene-6-carboxamide
CID 91382735
N-[2-(1H-imidazol-5-yl)ethyl]-4-(piperidin-1-ylmethyl)benzamide
CID 50982303
2-hydroxy-N-[2-(1H-imidazol-5-yl)ethyl]-3-[(4-sulfamoylphenyl)diazenyl]-1H-indole-5-carboxamide
CID 135434987
4-(3-hydroxy-3-methylbutyl)-N-[2-(1H-imidazol-5-yl)ethyl]benzamide
CID 56914204
3-[3-[2-(1H-imidazol-5-yl)ethylcarbamoyl]phenyl]prop-2-enoic acid
CID 77061481
2-hydrazinyl-N-[2-(1H-imidazol-5-yl)ethyl]-6-methylpyridine-4-carboxamide
CID 113379256

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-8-carboxamide?
The IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-8-carboxamide (CID 135511967) is N-[2-(1H-imidazol-5-yl)ethyl]-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-8-carboxamide.
What is the SMILES notation for N-[2-(1H-imidazol-5-yl)ethyl]-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-8-carboxamide?
The canonical SMILES for N-[2-(1H-imidazol-5-yl)ethyl]-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-8-carboxamide is O=C(NCCc1cnc[nH]1)c1ccc2c3c([nH]c2c1)-c1[nH]ncc1CC3.
What is the InChIKey of N-[2-(1H-imidazol-5-yl)ethyl]-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-8-carboxamide?
The InChIKey is CWJJIRNEIWCTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O/c26-19(21-6-5-13-9-20-10-22-13)11-1-3-14-15-4-2-12-8-23-25-17(12)18(15)24-16(14)7-11/h1,3,7-10,24H,2,4-6H2,(H,20,22)(H,21,26)(H,23,25).
What are the key properties of N-[2-(1H-imidazol-5-yl)ethyl]-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-8-carboxamide?
N-[2-(1H-imidazol-5-yl)ethyl]-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-8-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 2.35, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-5-yl)ethyl]-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-8-carboxamide is sourced from PubChem (CID 135511967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).