N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[2-(1H-indol-3-yl)ethylamino]acetamide

C19H25N5O — CID 50977958

IUPACN-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[2-(1H-indol-3-yl)ethylamino]acetamide
SMILESCCn1nc(C)c(NC(=O)CNCCc2c[nH]c3ccccc23)c1C
InChIInChI=1S/C19H25N5O/c1-4-24-14(3)19(13(2)23-24)22-18(25)12-20-10-9-15-11-21-17-8-6-5-7-16(15)17/h5-8,11,20-21H,4,9-10,12H2,1-3H3,(H,22,25)
InChIKeyDASXZBYIEYMFEC-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.77
Rot. Bonds7

About N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[2-(1H-indol-3-yl)ethylamino]acetamide

N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[2-(1H-indol-3-yl)ethylamino]acetamide (PubChem CID 50977958) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[2-(1H-indol-3-yl)ethylamino]acetamide.

Molecular Properties

Compound NameN-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[2-(1H-indol-3-yl)ethylamino]acetamide
PubChem CID50977958
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC NameN-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[2-(1H-indol-3-yl)ethylamino]acetamide
SMILESCCn1nc(C)c(NC(=O)CNCCc2c[nH]c3ccccc23)c1C
InChIInChI=1S/C19H25N5O/c1-4-24-14(3)19(13(2)23-24)22-18(25)12-20-10-9-15-11-21-17-8-6-5-7-16(15)17/h5-8,11,20-21H,4,9-10,12H2,1-3H3,(H,22,25)
InChIKeyDASXZBYIEYMFEC-UHFFFAOYSA-N
XLogP2.77
TPSA74.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3,5-dimethyl-1-propylpyrazol-4-yl)-4-(1H-indol-3-yl)butanamide
CID 134699682
2-[2-(1H-indol-3-yl)ethylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 109002334
N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-4-(1H-indol-3-yl)butanamide
CID 19337848
2-[2-(1H-indol-3-yl)ethylamino]-N-propan-2-ylacetamide
CID 108992856
1-[2-(1H-indol-3-yl)ethylamino]propan-2-one
CID 91330877
N-tert-butyl-2-[2-(1H-indol-3-yl)ethylamino]acetamide
CID 109002301
N-[4-(diethylamino)-2-methylphenyl]-2-[2-(1H-indol-3-yl)ethylamino]acetamide
CID 109002411
N-(3,5-dichlorophenyl)-2-[2-(1H-indol-3-yl)ethylamino]acetamide
CID 109002406
2-[2-(1H-indol-3-yl)ethylamino]-N-(2-phenylethyl)acetamide
CID 108999978
2-[2-(1H-indol-3-yl)ethylamino]-N-quinolin-8-ylacetamide
CID 109002395
N-(2,6-dimethylphenyl)-2-[2-(5-methyl-1H-indol-3-yl)ethylamino]acetamide
CID 17066776
N-[2-(1H-indol-3-yl)ethyl]-2-(2-methoxyethylamino)acetamide
CID 78912609

Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[2-(1H-indol-3-yl)ethylamino]acetamide?
The IUPAC name of N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[2-(1H-indol-3-yl)ethylamino]acetamide (CID 50977958) is N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[2-(1H-indol-3-yl)ethylamino]acetamide.
What is the SMILES notation for N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[2-(1H-indol-3-yl)ethylamino]acetamide?
The canonical SMILES for N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[2-(1H-indol-3-yl)ethylamino]acetamide is CCn1nc(C)c(NC(=O)CNCCc2c[nH]c3ccccc23)c1C.
What is the InChIKey of N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[2-(1H-indol-3-yl)ethylamino]acetamide?
The InChIKey is DASXZBYIEYMFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-4-24-14(3)19(13(2)23-24)22-18(25)12-20-10-9-15-11-21-17-8-6-5-7-16(15)17/h5-8,11,20-21H,4,9-10,12H2,1-3H3,(H,22,25).
What are the key properties of N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[2-(1H-indol-3-yl)ethylamino]acetamide?
N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[2-(1H-indol-3-yl)ethylamino]acetamide has a molecular weight of 339.44 g/mol, XLogP of 2.77, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[2-(1H-indol-3-yl)ethylamino]acetamide is sourced from PubChem (CID 50977958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).