N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)propanamide

C22H27ClN4O — CID 90489325

IUPACN-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)propanamide
SMILESCCn1nc(C)c(CCC(=O)NC2CCCc3c2[nH]c2c(Cl)cccc32)c1C
InChIInChI=1S/C22H27ClN4O/c1-4-27-14(3)15(13(2)26-27)11-12-20(28)24-19-10-6-8-17-16-7-5-9-18(23)21(16)25-22(17)19/h5,7,9,19,25H,4,6,8,10-12H2,1-3H3,(H,24,28)
InChIKeyAWYJZONXDRKLQI-UHFFFAOYSA-N
MW398.94 g/mol
LogP4.78
Rot. Bonds5

About N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)propanamide

N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)propanamide (PubChem CID 90489325) has the molecular formula C22H27ClN4O and a molecular weight of 398.94 g/mol. Its IUPAC name is N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)propanamide
PubChem CID90489325
Molecular FormulaC22H27ClN4O
Molecular Weight398.94 g/mol
Exact Mass398.19
IUPAC NameN-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)propanamide
SMILESCCn1nc(C)c(CCC(=O)NC2CCCc3c2[nH]c2c(Cl)cccc32)c1C
InChIInChI=1S/C22H27ClN4O/c1-4-27-14(3)15(13(2)26-27)11-12-20(28)24-19-10-6-8-17-16-7-5-9-18(23)21(16)25-22(17)19/h5,7,9,19,25H,4,6,8,10-12H2,1-3H3,(H,24,28)
InChIKeyAWYJZONXDRKLQI-UHFFFAOYSA-N
XLogP4.78
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.94
LogP ≤ 54.78
H-Bond Donors ≤ 52
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-Isopropyl-N-(2-methyl-2H-pyrazol-3-ylmethyl)-2-(2-phenyl-1H-indol-3-yl)-acetamide
CID 10156985
1-(3-chlorophenyl)-2-[(1,5-dimethyl-1H-pyrazol-3-yl)carbonyl]-2,3,4,9-tetrahydro-1H-beta-carboline
CID 16189146
3-((1H-Pyrazol-1-yl)methyl)-N-(2-(5-Chloro-1H-indol-3-yl)ethyl)benzamide
CID 67974080
4-((1H-Pyrazol-1-yl)methyl)-N-(2-(5-Chloro-1H-indol-3-yl)ethyl)benzamide
CID 67974590
3-[7-chloro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(3S)-2-oxopyrrolidin-3-yl]propanamide
CID 153620007
3-[7-chloro-5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(3S)-2-oxopyrrolidin-3-yl]propanamide
CID 153620104
US10166214, Example 106
CID 86291764
2-(6-chloro-9H-carbazol-2-yl)-N-(((S)-1-ethylpyrrolidin-2-yl)methyl)propanamide
CID 17593350
US10166214, Example 114
CID 117709178
US11247989, Example 62
CID 132186420
US11548896, Example 92
CID 156417255
6-chloro-2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
CID 56884120

Frequently Asked Questions

What is the IUPAC name of N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)propanamide?
The IUPAC name of N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)propanamide (CID 90489325) is N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)propanamide?
The canonical SMILES for N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)propanamide is CCn1nc(C)c(CCC(=O)NC2CCCc3c2[nH]c2c(Cl)cccc32)c1C.
What is the InChIKey of N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)propanamide?
The InChIKey is AWYJZONXDRKLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN4O/c1-4-27-14(3)15(13(2)26-27)11-12-20(28)24-19-10-6-8-17-16-7-5-9-18(23)21(16)25-22(17)19/h5,7,9,19,25H,4,6,8,10-12H2,1-3H3,(H,24,28).
What are the key properties of N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)propanamide?
N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)propanamide has a molecular weight of 398.94 g/mol, XLogP of 4.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 90489325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).