N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-4-(1H-indol-3-yl)butanamide

C18H21BrN4O — CID 19322988

IUPACN-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-4-(1H-indol-3-yl)butanamide
SMILESCCn1ncc(Br)c1CNC(=O)CCCc1c[nH]c2ccccc12
InChIInChI=1S/C18H21BrN4O/c1-2-23-17(15(19)11-22-23)12-21-18(24)9-5-6-13-10-20-16-8-4-3-7-14(13)16/h3-4,7-8,10-11,20H,2,5-6,9,12H2,1H3,(H,21,24)
InChIKeyZYVDTCCOJVXUTG-UHFFFAOYSA-N
MW389.30 g/mol
LogP3.79
Rot. Bonds7

About N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-4-(1H-indol-3-yl)butanamide

N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-4-(1H-indol-3-yl)butanamide (PubChem CID 19322988) has the molecular formula C18H21BrN4O and a molecular weight of 389.30 g/mol. Its IUPAC name is N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-4-(1H-indol-3-yl)butanamide.

Molecular Properties

Compound NameN-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-4-(1H-indol-3-yl)butanamide
PubChem CID19322988
Molecular FormulaC18H21BrN4O
Molecular Weight389.30 g/mol
Exact Mass388.09
IUPAC NameN-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-4-(1H-indol-3-yl)butanamide
SMILESCCn1ncc(Br)c1CNC(=O)CCCc1c[nH]c2ccccc12
InChIInChI=1S/C18H21BrN4O/c1-2-23-17(15(19)11-22-23)12-21-18(24)9-5-6-13-10-20-16-8-4-3-7-14(13)16/h3-4,7-8,10-11,20H,2,5-6,9,12H2,1H3,(H,21,24)
InChIKeyZYVDTCCOJVXUTG-UHFFFAOYSA-N
XLogP3.79
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.30
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-3-(1H-indol-3-yl)propanamide
CID 19296648
N-[(1-ethylpyrazol-3-yl)methyl]-4-(1H-indol-3-yl)butanamide
CID 19331006
4-(1H-indol-3-yl)-N'-[2-(1H-indol-3-yl)acetyl]butanehydrazide
CID 29437828
4-(1H-indol-3-yl)-N-(1,3-thiazol-5-ylmethyl)butanamide
CID 104579103
4-(1H-indol-3-yl)-N-[2-[3-(1H-indol-3-yl)propanoylamino]ethyl]butanamide
CID 42506947
N-[2-(ethylamino)ethyl]-4-(1H-indol-3-yl)butanamide
CID 62658030
N-[3-(ethylamino)propyl]-4-(1H-indol-3-yl)butanamide
CID 43601757
4-(1H-indol-3-yl)-N-[2-oxo-2-(propylamino)ethyl]butanamide
CID 18162740
N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-4-(1H-indol-3-yl)butanamide
CID 19330007
N-[(4-chlorophenyl)methyl]-4-(1H-indol-3-yl)butanamide
CID 2114507
N-but-2-ynyl-4-(1H-indol-3-yl)butanamide
CID 115866866
N-(2-ethoxyethyl)-4-(1H-indol-3-yl)butanamide
CID 43591663

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-4-(1H-indol-3-yl)butanamide?
The IUPAC name of N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-4-(1H-indol-3-yl)butanamide (CID 19322988) is N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-4-(1H-indol-3-yl)butanamide.
What is the SMILES notation for N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-4-(1H-indol-3-yl)butanamide?
The canonical SMILES for N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-4-(1H-indol-3-yl)butanamide is CCn1ncc(Br)c1CNC(=O)CCCc1c[nH]c2ccccc12.
What is the InChIKey of N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-4-(1H-indol-3-yl)butanamide?
The InChIKey is ZYVDTCCOJVXUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN4O/c1-2-23-17(15(19)11-22-23)12-21-18(24)9-5-6-13-10-20-16-8-4-3-7-14(13)16/h3-4,7-8,10-11,20H,2,5-6,9,12H2,1H3,(H,21,24).
What are the key properties of N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-4-(1H-indol-3-yl)butanamide?
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-4-(1H-indol-3-yl)butanamide has a molecular weight of 389.30 g/mol, XLogP of 3.79, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-4-(1H-indol-3-yl)butanamide is sourced from PubChem (CID 19322988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).