3-(1-methylpyrazol-4-yl)propyl 6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate

C20H23N3O2 — CID 56799241

IUPAC3-(1-methylpyrazol-4-yl)propyl 6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate
SMILESCn1cc(CCCOC(=O)c2cccc3c4c([nH]c23)CCCC4)cn1
InChIInChI=1S/C20H23N3O2/c1-23-13-14(12-21-23)6-5-11-25-20(24)17-9-4-8-16-15-7-2-3-10-18(15)22-19(16)17/h4,8-9,12-13,22H,2-3,5-7,10-11H2,1H3
InChIKeyFINYMNRZXCTBNV-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.57
Rot. Bonds5

About 3-(1-methylpyrazol-4-yl)propyl 6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate

3-(1-methylpyrazol-4-yl)propyl 6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate (PubChem CID 56799241) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)propyl 6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate.

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)propyl 6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate
PubChem CID56799241
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name3-(1-methylpyrazol-4-yl)propyl 6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate
SMILESCn1cc(CCCOC(=O)c2cccc3c4c([nH]c23)CCCC4)cn1
InChIInChI=1S/C20H23N3O2/c1-23-13-14(12-21-23)6-5-11-25-20(24)17-9-4-8-16-15-7-2-3-10-18(15)22-19(16)17/h4,8-9,12-13,22H,2-3,5-7,10-11H2,1H3
InChIKeyFINYMNRZXCTBNV-UHFFFAOYSA-N
XLogP3.57
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

propyl 6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate
CID 50888406
(2-chlorophenyl)methyl 6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate
CID 50888463
3-(1-methylpyrazol-4-yl)propyl 4,6-dimethyl-2-oxo-1H-pyridine-3-carboxylate
CID 86789907
[(2R)-1-carbamoylpyrrolidin-2-yl]methyl 6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate
CID 99564791
[(3R,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-(6,7,8,9-tetrahydro-5H-carbazol-1-yl)methanone
CID 135110871
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
N'-(4-oxo-3-propylphthalazine-1-carbonyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carbohydrazide
CID 46586481
N-[4-(4-methylpiperidin-1-yl)butyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 55814693
N-(6-methoxy-3-pyridinyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 34977108
N-[2-(2-methylpropanoylamino)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 46581679
[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]-(6,7,8,9-tetrahydro-5H-carbazol-1-yl)methanone
CID 90651430
3-(1-methylpyrazol-4-yl)propyl 2-propan-2-yl-1,3-thiazole-5-carboxylate
CID 84591092

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-4-yl)propyl 6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate?
The IUPAC name of 3-(1-methylpyrazol-4-yl)propyl 6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate (CID 56799241) is 3-(1-methylpyrazol-4-yl)propyl 6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate.
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)propyl 6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)propyl 6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate is Cn1cc(CCCOC(=O)c2cccc3c4c([nH]c23)CCCC4)cn1.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)propyl 6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate?
The InChIKey is FINYMNRZXCTBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-23-13-14(12-21-23)6-5-11-25-20(24)17-9-4-8-16-15-7-2-3-10-18(15)22-19(16)17/h4,8-9,12-13,22H,2-3,5-7,10-11H2,1H3.
What are the key properties of 3-(1-methylpyrazol-4-yl)propyl 6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate?
3-(1-methylpyrazol-4-yl)propyl 6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate has a molecular weight of 337.42 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-4-yl)propyl 6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate is sourced from PubChem (CID 56799241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).