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

C22H27ClN4O — CID 99755034

IUPACN-[(1S)-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)N[C@H]2CCCc3c2[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)/t19-/m0/s1
InChIKeyAWYJZONXDRKLQI-IBGZPJMESA-N
MW398.94 g/mol
LogP4.78
Rot. Bonds5

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

N-[(1S)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)propanamide (PubChem CID 99755034) has the molecular formula C22H27ClN4O and a molecular weight of 398.94 g/mol. Its IUPAC name is N-[(1S)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[(1S)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)propanamide
PubChem CID99755034
Molecular FormulaC22H27ClN4O
Molecular Weight398.94 g/mol
Exact Mass398.19
IUPAC NameN-[(1S)-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)N[C@H]2CCCc3c2[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)/t19-/m0/s1
InChIKeyAWYJZONXDRKLQI-IBGZPJMESA-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-[(1R)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-phenylpropanamide
CID 97496454
N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 71828982
N-[(1R)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-methylbutanamide
CID 97425428
N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide
CID 90489330
N-[(1S)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-2-(6-methyl-4-oxopyran-3-yl)oxyacetamide
CID 126418019
N-[(1S)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 97425983
N-[(1S)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-4-methoxybenzamide
CID 97426181
N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)pyrazine-2-carboxamide
CID 75489736
N-[(1S)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3,4-dimethoxybenzamide
CID 97425903
N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-3,4-dimethoxybenzamide
CID 71829149
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide
CID 99755071
N-[(1R)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-1H-indole-4-carboxamide
CID 97425394

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-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-[(1S)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)propanamide (CID 99755034) is N-[(1S)-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-[(1S)-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-[(1S)-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)N[C@H]2CCCc3c2[nH]c2c(Cl)cccc32)c1C.
What is the InChIKey of N-[(1S)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)propanamide?
The InChIKey is AWYJZONXDRKLQI-IBGZPJMESA-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)/t19-/m0/s1.
What are the key properties of N-[(1S)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)propanamide?
N-[(1S)-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-[(1S)-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 99755034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).