3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(1-ethyl-2,3-dihydroindol-6-yl)butanamide

C19H26N4O — CID 84594643

IUPAC3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(1-ethyl-2,3-dihydroindol-6-yl)butanamide
SMILESCCN1CCc2ccc(NC(=O)CC(C)c3c(C)n[nH]c3C)cc21
InChIInChI=1S/C19H26N4O/c1-5-23-9-8-15-6-7-16(11-17(15)23)20-18(24)10-12(2)19-13(3)21-22-14(19)4/h6-7,11-12H,5,8-10H2,1-4H3,(H,20,24)(H,21,22)
InChIKeyLRKJWFGIHRMFOJ-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.54
Rot. Bonds5

About 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(1-ethyl-2,3-dihydroindol-6-yl)butanamide

3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(1-ethyl-2,3-dihydroindol-6-yl)butanamide (PubChem CID 84594643) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(1-ethyl-2,3-dihydroindol-6-yl)butanamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(1-ethyl-2,3-dihydroindol-6-yl)butanamide
PubChem CID84594643
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(1-ethyl-2,3-dihydroindol-6-yl)butanamide
SMILESCCN1CCc2ccc(NC(=O)CC(C)c3c(C)n[nH]c3C)cc21
InChIInChI=1S/C19H26N4O/c1-5-23-9-8-15-6-7-16(11-17(15)23)20-18(24)10-12(2)19-13(3)21-22-14(19)4/h6-7,11-12H,5,8-10H2,1-4H3,(H,20,24)(H,21,22)
InChIKeyLRKJWFGIHRMFOJ-UHFFFAOYSA-N
XLogP3.54
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-ethyl-2,3-dihydroindol-6-yl)-2-(4-fluorophenoxy)acetamide
CID 166188945
N-[6-(difluoromethoxy)-3-pyridinyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)butanamide
CID 138993474
[2-(3-chloro-4-fluoroanilino)-2-oxoethyl] (3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)butanoate
CID 97246701
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(4-methyl-1,3-thiazol-5-yl)butanamide
CID 138996177
N-(1-ethyl-2,3-dihydroindol-6-yl)-1-methyl-2,3-dihydroindole-5-carboxamide
CID 154840394
1-(1-ethyl-2,3-dihydroindol-6-yl)-3-(4-hydroxy-2,2-dimethylpentyl)urea
CID 71992348
(3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2R)-2-pyridin-4-ylpropyl]butanamide
CID 97329837
N-(3,4-dimethylphenyl)-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]acetamide
CID 90507419
3-methyl-N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)butanamide
CID 27604546
N-(3,4-dichlorophenyl)-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]acetamide
CID 90507366
(3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]butanamide
CID 97099240
N-(1-butyl-2,3-dihydroindol-6-yl)-2-propylsulfonylacetamide
CID 71918240

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(1-ethyl-2,3-dihydroindol-6-yl)butanamide?
The IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(1-ethyl-2,3-dihydroindol-6-yl)butanamide (CID 84594643) is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(1-ethyl-2,3-dihydroindol-6-yl)butanamide.
What is the SMILES notation for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(1-ethyl-2,3-dihydroindol-6-yl)butanamide?
The canonical SMILES for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(1-ethyl-2,3-dihydroindol-6-yl)butanamide is CCN1CCc2ccc(NC(=O)CC(C)c3c(C)n[nH]c3C)cc21.
What is the InChIKey of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(1-ethyl-2,3-dihydroindol-6-yl)butanamide?
The InChIKey is LRKJWFGIHRMFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-5-23-9-8-15-6-7-16(11-17(15)23)20-18(24)10-12(2)19-13(3)21-22-14(19)4/h6-7,11-12H,5,8-10H2,1-4H3,(H,20,24)(H,21,22).
What are the key properties of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(1-ethyl-2,3-dihydroindol-6-yl)butanamide?
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(1-ethyl-2,3-dihydroindol-6-yl)butanamide has a molecular weight of 326.44 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(1-ethyl-2,3-dihydroindol-6-yl)butanamide is sourced from PubChem (CID 84594643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).