N-tert-butyl-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-8-carboxamide

C18H20N4O — CID 135432895

IUPACN-tert-butyl-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-8-carboxamide
SMILESCC(C)(C)NC(=O)c1ccc2c3c([nH]c2c1)-c1[nH]ncc1CC3
InChIInChI=1S/C18H20N4O/c1-18(2,3)21-17(23)10-4-6-12-13-7-5-11-9-19-22-15(11)16(13)20-14(12)8-10/h4,6,8-9,20H,5,7H2,1-3H3,(H,19,22)(H,21,23)
InChIKeyGZUUTDPDIUKHHH-UHFFFAOYSA-N
MW308.39 g/mol
LogP3.18
Rot. Bonds1

About N-tert-butyl-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-8-carboxamide

N-tert-butyl-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-8-carboxamide (PubChem CID 135432895) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is N-tert-butyl-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-8-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-8-carboxamide
PubChem CID135432895
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC NameN-tert-butyl-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-8-carboxamide
SMILESCC(C)(C)NC(=O)c1ccc2c3c([nH]c2c1)-c1[nH]ncc1CC3
InChIInChI=1S/C18H20N4O/c1-18(2,3)21-17(23)10-4-6-12-13-7-5-11-9-19-22-15(11)16(13)20-14(12)8-10/h4,6,8-9,20H,5,7H2,1-3H3,(H,19,22)(H,21,23)
InChIKeyGZUUTDPDIUKHHH-UHFFFAOYSA-N
XLogP3.18
TPSA73.57 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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-8-carboxamide
CID 135511967
N-propan-2-yl-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-7-carboxamide
CID 135516734
8-chloro-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole
CID 135453861
N-(2-anilinoethyl)-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-7-carboxamide
CID 135465614
N-tert-butyl-1H-indazole-5-carboxamide
CID 22933425
N-tert-butyl-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 110692342
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-6-carboxamide
CID 135516733
N-tert-butyl-3-methyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 51111034
N-tert-butyl-1H-indole-6-carboxamide
CID 47299645
4,5-dihydro-1H-benzo[g]indazole-7-carboxylic acid
CID 139432787
6-methoxy-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole
CID 135474212

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-8-carboxamide?
The IUPAC name of N-tert-butyl-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-8-carboxamide (CID 135432895) is N-tert-butyl-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-8-carboxamide.
What is the SMILES notation for N-tert-butyl-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-8-carboxamide?
The canonical SMILES for N-tert-butyl-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-8-carboxamide is CC(C)(C)NC(=O)c1ccc2c3c([nH]c2c1)-c1[nH]ncc1CC3.
What is the InChIKey of N-tert-butyl-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-8-carboxamide?
The InChIKey is GZUUTDPDIUKHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-18(2,3)21-17(23)10-4-6-12-13-7-5-11-9-19-22-15(11)16(13)20-14(12)8-10/h4,6,8-9,20H,5,7H2,1-3H3,(H,19,22)(H,21,23).
What are the key properties of N-tert-butyl-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-8-carboxamide?
N-tert-butyl-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-8-carboxamide has a molecular weight of 308.39 g/mol, XLogP of 3.18, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-8-carboxamide is sourced from PubChem (CID 135432895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).