N-(2-anilinoethyl)-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-7-carboxamide

C22H21N5O — CID 135465614

IUPACN-(2-anilinoethyl)-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-7-carboxamide
SMILESO=C(NCCNc1ccccc1)c1ccc2[nH]c3c(c2c1)CCc1cn[nH]c1-3
InChIInChI=1S/C22H21N5O/c28-22(24-11-10-23-16-4-2-1-3-5-16)14-7-9-19-18(12-14)17-8-6-15-13-25-27-20(15)21(17)26-19/h1-5,7,9,12-13,23,26H,6,8,10-11H2,(H,24,28)(H,25,27)
InChIKeyPXRZCQREISXWGN-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.50
Rot. Bonds5

About N-(2-anilinoethyl)-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-7-carboxamide

N-(2-anilinoethyl)-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-7-carboxamide (PubChem CID 135465614) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is N-(2-anilinoethyl)-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-7-carboxamide.

Molecular Properties

Compound NameN-(2-anilinoethyl)-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-7-carboxamide
PubChem CID135465614
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC NameN-(2-anilinoethyl)-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-7-carboxamide
SMILESO=C(NCCNc1ccccc1)c1ccc2[nH]c3c(c2c1)CCc1cn[nH]c1-3
InChIInChI=1S/C22H21N5O/c28-22(24-11-10-23-16-4-2-1-3-5-16)14-7-9-19-18(12-14)17-8-6-15-13-25-27-20(15)21(17)26-19/h1-5,7,9,12-13,23,26H,6,8,10-11H2,(H,24,28)(H,25,27)
InChIKeyPXRZCQREISXWGN-UHFFFAOYSA-N
XLogP3.50
TPSA85.60 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-anilinoethyl)-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(1H-imidazol-5-yl)ethyl]-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-7-carboxamide
CID 135474390
N-propan-2-yl-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-7-carboxamide
CID 135516734
N-[2-(1H-imidazol-5-yl)ethyl]-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-8-carboxamide
CID 135511967
N-tert-butyl-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-8-carboxamide
CID 135432895
[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-(3,4,17-triazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(10),2(6),4,11(16),12,14-hexaen-13-yl)methanone
CID 135505818
4-N-(2-anilinoethyl)benzene-1,4-dicarboxamide
CID 154348827
N-(2-phenylethyl)-1H-indazole-5-carboxamide
CID 22933558
3-(1H-indazole-5-carbonylamino)propanoic acid
CID 43354730
N-[2-[[4-(3-chloroanilino)-1H-pyrazol-5-yl]amino]ethyl]benzamide
CID 57263599
N-propan-2-yl-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-6-carboxamide
CID 135516733
methyl 6,11-dihydro-5H-benzo[a]carbazole-8-carboxylate
CID 154810461
5,5-dimethyl-N-pyrrolidin-3-yl-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxamide
CID 136609410

Frequently Asked Questions

What is the IUPAC name of N-(2-anilinoethyl)-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-7-carboxamide?
The IUPAC name of N-(2-anilinoethyl)-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-7-carboxamide (CID 135465614) is N-(2-anilinoethyl)-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-7-carboxamide.
What is the SMILES notation for N-(2-anilinoethyl)-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-7-carboxamide?
The canonical SMILES for N-(2-anilinoethyl)-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-7-carboxamide is O=C(NCCNc1ccccc1)c1ccc2[nH]c3c(c2c1)CCc1cn[nH]c1-3.
What is the InChIKey of N-(2-anilinoethyl)-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-7-carboxamide?
The InChIKey is PXRZCQREISXWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O/c28-22(24-11-10-23-16-4-2-1-3-5-16)14-7-9-19-18(12-14)17-8-6-15-13-25-27-20(15)21(17)26-19/h1-5,7,9,12-13,23,26H,6,8,10-11H2,(H,24,28)(H,25,27).
What are the key properties of N-(2-anilinoethyl)-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-7-carboxamide?
N-(2-anilinoethyl)-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-7-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 3.50, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-anilinoethyl)-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-7-carboxamide is sourced from PubChem (CID 135465614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).