N-[1-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide

C21H22N4O — CID 71811923

IUPACN-[1-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide
SMILESCC(=O)Nc1ccc2c(c1)CCN2Cc1ccc(-c2ccn(C)n2)cc1
InChIInChI=1S/C21H22N4O/c1-15(26)22-19-7-8-21-18(13-19)9-12-25(21)14-16-3-5-17(6-4-16)20-10-11-24(2)23-20/h3-8,10-11,13H,9,12,14H2,1-2H3,(H,22,26)
InChIKeyYYFUOMGXVLQTRN-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.61
Rot. Bonds4

About N-[1-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide

N-[1-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide (PubChem CID 71811923) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is N-[1-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide.

Molecular Properties

Compound NameN-[1-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide
PubChem CID71811923
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC NameN-[1-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide
SMILESCC(=O)Nc1ccc2c(c1)CCN2Cc1ccc(-c2ccn(C)n2)cc1
InChIInChI=1S/C21H22N4O/c1-15(26)22-19-7-8-21-18(13-19)9-12-25(21)14-16-3-5-17(6-4-16)20-10-11-24(2)23-20/h3-8,10-11,13H,9,12,14H2,1-2H3,(H,22,26)
InChIKeyYYFUOMGXVLQTRN-UHFFFAOYSA-N
XLogP3.61
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[1-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide
CID 71811920
N-[1-[[4-(5-methyl-2H-pyrrol-3-yl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide
CID 162001883
4-[(5-acetamido-2,3-dihydroindol-1-yl)methyl]benzamide
CID 71812022
N-[1-[(4-propan-2-ylphenyl)methyl]-2,3-dihydroindol-5-yl]acetamide
CID 71811900
N-[1-[(4-tert-butylphenyl)methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide
CID 71811983
N-[1-[[4-(cyanomethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide
CID 71812001
1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindol-5-amine;N-[1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide
CID 160896240
N-[1-[(4-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide
CID 71811966
4-[(5-acetamido-2,3-dihydroindol-1-yl)methyl]benzoic acid;4-[(5-acetamido-2,3-dihydroindol-1-yl)methyl]-N-methyl-N-phenylbenzamide;N-methylaniline
CID 159527515
N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide
CID 71811962
N-(4-acetamidophenyl)-4-(2,3-dihydroindol-1-ylmethyl)benzamide
CID 46771578
1-[1-[(4-bromophenyl)methyl]-2,3-dihydroindol-5-yl]ethanone
CID 102662471

Frequently Asked Questions

What is the IUPAC name of N-[1-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide?
The IUPAC name of N-[1-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide (CID 71811923) is N-[1-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide.
What is the SMILES notation for N-[1-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide?
The canonical SMILES for N-[1-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide is CC(=O)Nc1ccc2c(c1)CCN2Cc1ccc(-c2ccn(C)n2)cc1.
What is the InChIKey of N-[1-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide?
The InChIKey is YYFUOMGXVLQTRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-15(26)22-19-7-8-21-18(13-19)9-12-25(21)14-16-3-5-17(6-4-16)20-10-11-24(2)23-20/h3-8,10-11,13H,9,12,14H2,1-2H3,(H,22,26).
What are the key properties of N-[1-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide?
N-[1-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide has a molecular weight of 346.43 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide is sourced from PubChem (CID 71811923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).