N-[(1S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide

C20H23ClN4O — CID 124879396

IUPACN-[(1S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide
SMILESCc1cc(C)n(CCC(=O)N[C@H]2CCCc3c2[nH]c2ccc(Cl)cc32)n1
InChIInChI=1S/C20H23ClN4O/c1-12-10-13(2)25(24-12)9-8-19(26)22-18-5-3-4-15-16-11-14(21)6-7-17(16)23-20(15)18/h6-7,10-11,18,23H,3-5,8-9H2,1-2H3,(H,22,26)/t18-/m0/s1
InChIKeySNEQXDBIIGPNNL-SFHVURJKSA-N
MW370.88 g/mol
LogP4.22
Rot. Bonds4

About N-[(1S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide

N-[(1S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide (PubChem CID 124879396) has the molecular formula C20H23ClN4O and a molecular weight of 370.88 g/mol. Its IUPAC name is N-[(1S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[(1S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide
PubChem CID124879396
Molecular FormulaC20H23ClN4O
Molecular Weight370.88 g/mol
Exact Mass370.16
IUPAC NameN-[(1S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide
SMILESCc1cc(C)n(CCC(=O)N[C@H]2CCCc3c2[nH]c2ccc(Cl)cc32)n1
InChIInChI=1S/C20H23ClN4O/c1-12-10-13(2)25(24-12)9-8-19(26)22-18-5-3-4-15-16-11-14(21)6-7-17(16)23-20(15)18/h6-7,10-11,18,23H,3-5,8-9H2,1-2H3,(H,22,26)/t18-/m0/s1
InChIKeySNEQXDBIIGPNNL-SFHVURJKSA-N
XLogP4.22
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 54.22
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-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 110205500
3-(3,5-dimethylpyrazol-1-yl)-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)propanamide
CID 110204955
N-[(1S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-methylbutanamide
CID 97424397
N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-3-(3-methoxy-1,2-oxazol-5-yl)propanamide
CID 110204755
N-[(1R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-(1H-indol-3-yl)propanamide
CID 97425045
N-[(1R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]pyridine-4-carboxamide
CID 97425894
N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-methyl-1-oxoisoquinoline-4-carboxamide
CID 71827376
N-[(1S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide
CID 97489596
1-(6-chloro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-4-(3,5-dimethylpyrazol-1-yl)butan-1-one
CID 16677481
6-chloro-N-propyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 65332691
N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(tetrazol-1-yl)benzamide
CID 75490473
N-[(1S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-2-(tetrazol-1-yl)benzamide
CID 97496892

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide?
The IUPAC name of N-[(1S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide (CID 124879396) is N-[(1S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-[(1S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide?
The canonical SMILES for N-[(1S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide is Cc1cc(C)n(CCC(=O)N[C@H]2CCCc3c2[nH]c2ccc(Cl)cc32)n1.
What is the InChIKey of N-[(1S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide?
The InChIKey is SNEQXDBIIGPNNL-SFHVURJKSA-N. The full InChI is InChI=1S/C20H23ClN4O/c1-12-10-13(2)25(24-12)9-8-19(26)22-18-5-3-4-15-16-11-14(21)6-7-17(16)23-20(15)18/h6-7,10-11,18,23H,3-5,8-9H2,1-2H3,(H,22,26)/t18-/m0/s1.
What are the key properties of N-[(1S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide?
N-[(1S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide has a molecular weight of 370.88 g/mol, XLogP of 4.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide is sourced from PubChem (CID 124879396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).