N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-4-(1H-indol-3-yl)butanamide

C20H25BrN4O — CID 19330007

IUPACN-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-4-(1H-indol-3-yl)butanamide
SMILESCc1nn(CCCNC(=O)CCCc2c[nH]c3ccccc23)c(C)c1Br
InChIInChI=1S/C20H25BrN4O/c1-14-20(21)15(2)25(24-14)12-6-11-22-19(26)10-5-7-16-13-23-18-9-4-3-8-17(16)18/h3-4,8-9,13,23H,5-7,10-12H2,1-2H3,(H,22,26)
InChIKeyDNOOFSGHUIONEZ-UHFFFAOYSA-N
MW417.35 g/mol
LogP4.27
Rot. Bonds8

About N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-4-(1H-indol-3-yl)butanamide

N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-4-(1H-indol-3-yl)butanamide (PubChem CID 19330007) has the molecular formula C20H25BrN4O and a molecular weight of 417.35 g/mol. Its IUPAC name is N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-4-(1H-indol-3-yl)butanamide.

Molecular Properties

Compound NameN-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-4-(1H-indol-3-yl)butanamide
PubChem CID19330007
Molecular FormulaC20H25BrN4O
Molecular Weight417.35 g/mol
Exact Mass416.12
IUPAC NameN-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-4-(1H-indol-3-yl)butanamide
SMILESCc1nn(CCCNC(=O)CCCc2c[nH]c3ccccc23)c(C)c1Br
InChIInChI=1S/C20H25BrN4O/c1-14-20(21)15(2)25(24-14)12-6-11-22-19(26)10-5-7-16-13-23-18-9-4-3-8-17(16)18/h3-4,8-9,13,23H,5-7,10-12H2,1-2H3,(H,22,26)
InChIKeyDNOOFSGHUIONEZ-UHFFFAOYSA-N
XLogP4.27
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.35
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-4-(1H-indol-3-yl)butanamide
CID 19325911
N-(3,5-dimethyl-1-propylpyrazol-4-yl)-4-(1H-indol-3-yl)butanamide
CID 134699682
4-(1H-indol-3-yl)-N-[2-[3-(1H-indol-3-yl)propanoylamino]ethyl]butanamide
CID 42506947
N-[3-(benzimidazol-1-yl)propyl]-4-(1H-indol-3-yl)butanamide
CID 51221849
N-[3-(ethylamino)propyl]-4-(1H-indol-3-yl)butanamide
CID 43601757
N-[2-(1H-indol-3-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 41359496
N-[2-(ethylamino)ethyl]-4-(1H-indol-3-yl)butanamide
CID 62658030
3-amino-N-[3-(1H-indol-3-yl)propyl]propanamide
CID 119320787
4-(1H-indol-3-yl)-N-[2-oxo-2-(propylamino)ethyl]butanamide
CID 18162740
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-4-(1H-indol-3-yl)butanamide
CID 19322988
N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-4-(1H-indol-3-yl)butanamide
CID 19337848
N-[3-(N-ethylanilino)propyl]-4-(1H-indol-3-yl)butanamide
CID 55452531

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-4-(1H-indol-3-yl)butanamide?
The IUPAC name of N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-4-(1H-indol-3-yl)butanamide (CID 19330007) is N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-4-(1H-indol-3-yl)butanamide.
What is the SMILES notation for N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-4-(1H-indol-3-yl)butanamide?
The canonical SMILES for N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-4-(1H-indol-3-yl)butanamide is Cc1nn(CCCNC(=O)CCCc2c[nH]c3ccccc23)c(C)c1Br.
What is the InChIKey of N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-4-(1H-indol-3-yl)butanamide?
The InChIKey is DNOOFSGHUIONEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25BrN4O/c1-14-20(21)15(2)25(24-14)12-6-11-22-19(26)10-5-7-16-13-23-18-9-4-3-8-17(16)18/h3-4,8-9,13,23H,5-7,10-12H2,1-2H3,(H,22,26).
What are the key properties of N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-4-(1H-indol-3-yl)butanamide?
N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-4-(1H-indol-3-yl)butanamide has a molecular weight of 417.35 g/mol, XLogP of 4.27, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-4-(1H-indol-3-yl)butanamide is sourced from PubChem (CID 19330007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).