N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrazol-3-ylmethyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide

C20H26N4O — CID 133267951

IUPACN-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrazol-3-ylmethyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
SMILESO=C(NCC1NNC2CCCC21)c1cccc2c3c([nH]c12)CCCC3
InChIInChI=1S/C20H26N4O/c25-20(21-11-18-14-7-4-10-17(14)23-24-18)15-8-3-6-13-12-5-1-2-9-16(12)22-19(13)15/h3,6,8,14,17-18,22-24H,1-2,4-5,7,9-11H2,(H,21,25)
InChIKeyJZOWZOJHKMJAMT-UHFFFAOYSA-N
MW338.46 g/mol
LogP2.42
Rot. Bonds3

About N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrazol-3-ylmethyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide

N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrazol-3-ylmethyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide (PubChem CID 133267951) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrazol-3-ylmethyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide.

Molecular Properties

Compound NameN-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrazol-3-ylmethyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
PubChem CID133267951
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC NameN-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrazol-3-ylmethyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
SMILESO=C(NCC1NNC2CCCC21)c1cccc2c3c([nH]c12)CCCC3
InChIInChI=1S/C20H26N4O/c25-20(21-11-18-14-7-4-10-17(14)23-24-18)15-8-3-6-13-12-5-1-2-9-16(12)22-19(13)15/h3,6,8,14,17-18,22-24H,1-2,4-5,7,9-11H2,(H,21,25)
InChIKeyJZOWZOJHKMJAMT-UHFFFAOYSA-N
XLogP2.42
TPSA68.95 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 52.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrazol-3-ylmethyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide with MolForge

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Related Compounds

N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 94040968
N-[2-(2-methylpropanoylamino)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 46581679
N-[4-(4-methylpiperidin-1-yl)butyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 55814693
N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 146040309
N-[4-(2-methylpiperidin-1-yl)butyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 55811546
N-methyl-N-[2-[methyl(1,2,3,4-tetrahydrocyclopenta[b]indole-5-carbonyl)amino]ethyl]-1,2,3,4-tetrahydrocyclopenta[b]indole-5-carboxamide
CID 166185537
2-methylpropyl 6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate
CID 50888414
2-(1,2,3,4-tetrahydrocyclopenta[b]indole-5-carbonylamino)propanoic acid
CID 23498614
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 46475540
N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 56523379
N-[3-(1H-benzimidazol-2-yl)propyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 39688262
N-[[3-(2-methylbutanoylamino)phenyl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 55868770

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrazol-3-ylmethyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
The IUPAC name of N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrazol-3-ylmethyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide (CID 133267951) is N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrazol-3-ylmethyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide.
What is the SMILES notation for N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrazol-3-ylmethyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
The canonical SMILES for N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrazol-3-ylmethyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide is O=C(NCC1NNC2CCCC21)c1cccc2c3c([nH]c12)CCCC3.
What is the InChIKey of N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrazol-3-ylmethyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
The InChIKey is JZOWZOJHKMJAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c25-20(21-11-18-14-7-4-10-17(14)23-24-18)15-8-3-6-13-12-5-1-2-9-16(12)22-19(13)15/h3,6,8,14,17-18,22-24H,1-2,4-5,7,9-11H2,(H,21,25).
What are the key properties of N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrazol-3-ylmethyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrazol-3-ylmethyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide has a molecular weight of 338.46 g/mol, XLogP of 2.42, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrazol-3-ylmethyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide is sourced from PubChem (CID 133267951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).