N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N'-(1H-indol-4-yl)oxamide

C18H21N5O2 — CID 39351756

IUPACN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N'-(1H-indol-4-yl)oxamide
SMILESCCn1nc(C)c(CNC(=O)C(=O)Nc2cccc3[nH]ccc23)c1C
InChIInChI=1S/C18H21N5O2/c1-4-23-12(3)14(11(2)22-23)10-20-17(24)18(25)21-16-7-5-6-15-13(16)8-9-19-15/h5-9,19H,4,10H2,1-3H3,(H,20,24)(H,21,25)
InChIKeyRNAPTBRQJKWWCR-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.26
Rot. Bonds4

About N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N'-(1H-indol-4-yl)oxamide

N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N'-(1H-indol-4-yl)oxamide (PubChem CID 39351756) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N'-(1H-indol-4-yl)oxamide.

Molecular Properties

Compound NameN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N'-(1H-indol-4-yl)oxamide
PubChem CID39351756
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC NameN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N'-(1H-indol-4-yl)oxamide
SMILESCCn1nc(C)c(CNC(=O)C(=O)Nc2cccc3[nH]ccc23)c1C
InChIInChI=1S/C18H21N5O2/c1-4-23-12(3)14(11(2)22-23)10-20-17(24)18(25)21-16-7-5-6-15-13(16)8-9-19-15/h5-9,19H,4,10H2,1-3H3,(H,20,24)(H,21,25)
InChIKeyRNAPTBRQJKWWCR-UHFFFAOYSA-N
XLogP2.26
TPSA91.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N'-(1H-indol-4-yl)oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N'-(4-hydroxyphenyl)oxamide
CID 45493739
1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(2-methylphenyl)urea
CID 20964116
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(1H-indol-4-yl)-1-methylurea
CID 56825839
1-(1H-indol-4-yl)-3-pentylurea
CID 51132800
1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(4-ethylphenyl)urea
CID 20964106
N-(1H-indol-4-yl)-2-oxo-2-piperidin-1-ylacetamide
CID 45493554
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 56870014
1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-(2-methylphenyl)urea
CID 20963995
2-amino-N-(1H-indol-4-yl)acetamide
CID 110470011
(3S)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 97324893
1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 20964133
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-fluoropiperidine-4-carboxamide
CID 167870261

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N'-(1H-indol-4-yl)oxamide?
The IUPAC name of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N'-(1H-indol-4-yl)oxamide (CID 39351756) is N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N'-(1H-indol-4-yl)oxamide.
What is the SMILES notation for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N'-(1H-indol-4-yl)oxamide?
The canonical SMILES for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N'-(1H-indol-4-yl)oxamide is CCn1nc(C)c(CNC(=O)C(=O)Nc2cccc3[nH]ccc23)c1C.
What is the InChIKey of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N'-(1H-indol-4-yl)oxamide?
The InChIKey is RNAPTBRQJKWWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-4-23-12(3)14(11(2)22-23)10-20-17(24)18(25)21-16-7-5-6-15-13(16)8-9-19-15/h5-9,19H,4,10H2,1-3H3,(H,20,24)(H,21,25).
What are the key properties of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N'-(1H-indol-4-yl)oxamide?
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N'-(1H-indol-4-yl)oxamide has a molecular weight of 339.40 g/mol, XLogP of 2.26, 4 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)methyl]-N'-(1H-indol-4-yl)oxamide is sourced from PubChem (CID 39351756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).