N-butyl-N-[(1-methylpyrazol-4-yl)methyl]-2-(2-phenyl-2,3-dihydro-1H-indol-3-yl)acetamide

C25H30N4O — CID 142134004

IUPACN-butyl-N-[(1-methylpyrazol-4-yl)methyl]-2-(2-phenyl-2,3-dihydro-1H-indol-3-yl)acetamide
SMILESCCCCN(Cc1cnn(C)c1)C(=O)CC1c2ccccc2NC1c1ccccc1
InChIInChI=1S/C25H30N4O/c1-3-4-14-29(18-19-16-26-28(2)17-19)24(30)15-22-21-12-8-9-13-23(21)27-25(22)20-10-6-5-7-11-20/h5-13,16-17,22,25,27H,3-4,14-15,18H2,1-2H3
InChIKeyRAGXGCIOZAZRNF-UHFFFAOYSA-N
MW402.54 g/mol
LogP4.89
Rot. Bonds8

About N-butyl-N-[(1-methylpyrazol-4-yl)methyl]-2-(2-phenyl-2,3-dihydro-1H-indol-3-yl)acetamide

N-butyl-N-[(1-methylpyrazol-4-yl)methyl]-2-(2-phenyl-2,3-dihydro-1H-indol-3-yl)acetamide (PubChem CID 142134004) has the molecular formula C25H30N4O and a molecular weight of 402.54 g/mol. Its IUPAC name is N-butyl-N-[(1-methylpyrazol-4-yl)methyl]-2-(2-phenyl-2,3-dihydro-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-butyl-N-[(1-methylpyrazol-4-yl)methyl]-2-(2-phenyl-2,3-dihydro-1H-indol-3-yl)acetamide
PubChem CID142134004
Molecular FormulaC25H30N4O
Molecular Weight402.54 g/mol
Exact Mass402.24
IUPAC NameN-butyl-N-[(1-methylpyrazol-4-yl)methyl]-2-(2-phenyl-2,3-dihydro-1H-indol-3-yl)acetamide
SMILESCCCCN(Cc1cnn(C)c1)C(=O)CC1c2ccccc2NC1c1ccccc1
InChIInChI=1S/C25H30N4O/c1-3-4-14-29(18-19-16-26-28(2)17-19)24(30)15-22-21-12-8-9-13-23(21)27-25(22)20-10-6-5-7-11-20/h5-13,16-17,22,25,27H,3-4,14-15,18H2,1-2H3
InChIKeyRAGXGCIOZAZRNF-UHFFFAOYSA-N
XLogP4.89
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminopropyl)-N-benzyl-2-(1-methylpyrazol-4-yl)acetamide
CID 120649709
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetamide
CID 72898443
(1S)-N-[(1-methylpyrazol-4-yl)methyl]-N-propyl-3,4-dihydro-1H-isothiochromene-1-carboxamide
CID 96562614
N-benzyl-N-butylpropanamide
CID 12502571
N-ethyl-2-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]-2-phenylacetamide
CID 111537345
2-[(4R)-2,5-dioxo-1-propylimidazolidin-4-yl]-N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 124752517
N-benzyl-N-butyl-2-[(1R,2S,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]acetamide
CID 98182241
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 76894617
4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]butanoic acid
CID 61442435
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]acetamide
CID 96523121
2-amino-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-3-phenylpropanamide
CID 119863717
2-[N-[(1-methylpyrazol-4-yl)methyl]anilino]ethanol
CID 110881469

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[(1-methylpyrazol-4-yl)methyl]-2-(2-phenyl-2,3-dihydro-1H-indol-3-yl)acetamide?
The IUPAC name of N-butyl-N-[(1-methylpyrazol-4-yl)methyl]-2-(2-phenyl-2,3-dihydro-1H-indol-3-yl)acetamide (CID 142134004) is N-butyl-N-[(1-methylpyrazol-4-yl)methyl]-2-(2-phenyl-2,3-dihydro-1H-indol-3-yl)acetamide.
What is the SMILES notation for N-butyl-N-[(1-methylpyrazol-4-yl)methyl]-2-(2-phenyl-2,3-dihydro-1H-indol-3-yl)acetamide?
The canonical SMILES for N-butyl-N-[(1-methylpyrazol-4-yl)methyl]-2-(2-phenyl-2,3-dihydro-1H-indol-3-yl)acetamide is CCCCN(Cc1cnn(C)c1)C(=O)CC1c2ccccc2NC1c1ccccc1.
What is the InChIKey of N-butyl-N-[(1-methylpyrazol-4-yl)methyl]-2-(2-phenyl-2,3-dihydro-1H-indol-3-yl)acetamide?
The InChIKey is RAGXGCIOZAZRNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O/c1-3-4-14-29(18-19-16-26-28(2)17-19)24(30)15-22-21-12-8-9-13-23(21)27-25(22)20-10-6-5-7-11-20/h5-13,16-17,22,25,27H,3-4,14-15,18H2,1-2H3.
What are the key properties of N-butyl-N-[(1-methylpyrazol-4-yl)methyl]-2-(2-phenyl-2,3-dihydro-1H-indol-3-yl)acetamide?
N-butyl-N-[(1-methylpyrazol-4-yl)methyl]-2-(2-phenyl-2,3-dihydro-1H-indol-3-yl)acetamide has a molecular weight of 402.54 g/mol, XLogP of 4.89, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[(1-methylpyrazol-4-yl)methyl]-2-(2-phenyl-2,3-dihydro-1H-indol-3-yl)acetamide is sourced from PubChem (CID 142134004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).