(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(2,5-dimethylpyrazol-3-yl)methanone

C15H18N4O — CID 83212443

IUPAC(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(2,5-dimethylpyrazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCc3cc(C)c(N)cc32)n(C)n1
InChIInChI=1S/C15H18N4O/c1-9-6-11-4-5-19(13(11)8-12(9)16)15(20)14-7-10(2)17-18(14)3/h6-8H,4-5,16H2,1-3H3
InChIKeyBGUKDNGVMCVIPN-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.82
Rot. Bonds1

About (6-amino-5-methyl-2,3-dihydroindol-1-yl)-(2,5-dimethylpyrazol-3-yl)methanone

(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(2,5-dimethylpyrazol-3-yl)methanone (PubChem CID 83212443) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is (6-amino-5-methyl-2,3-dihydroindol-1-yl)-(2,5-dimethylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(2,5-dimethylpyrazol-3-yl)methanone
PubChem CID83212443
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(2,5-dimethylpyrazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCc3cc(C)c(N)cc32)n(C)n1
InChIInChI=1S/C15H18N4O/c1-9-6-11-4-5-19(13(11)8-12(9)16)15(20)14-7-10(2)17-18(14)3/h6-8H,4-5,16H2,1-3H3
InChIKeyBGUKDNGVMCVIPN-UHFFFAOYSA-N
XLogP1.82
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 83210635
(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanone
CID 83211587
(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(4-bromo-2-methylphenyl)methanone
CID 83210257
1-(6-amino-5-methyl-2,3-dihydroindol-1-yl)-2-methylsulfanylethanone
CID 83213519
(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(5-bromo-4-methylthiophen-2-yl)methanone
CID 83212525
(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(3-methyl-2-pyridinyl)methanone
CID 83212613
(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(2,6-difluorophenyl)methanone
CID 83210072
(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(furan-3-yl)methanone
CID 83213262
(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(3-bromo-2-methylphenyl)methanone
CID 83209869
(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(3-bromothiophen-2-yl)methanone
CID 83212528
(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(4-ethylphenyl)methanone
CID 83210065
(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(5-chloro-2-fluorophenyl)methanone
CID 83209696

Frequently Asked Questions

What is the IUPAC name of (6-amino-5-methyl-2,3-dihydroindol-1-yl)-(2,5-dimethylpyrazol-3-yl)methanone?
The IUPAC name of (6-amino-5-methyl-2,3-dihydroindol-1-yl)-(2,5-dimethylpyrazol-3-yl)methanone (CID 83212443) is (6-amino-5-methyl-2,3-dihydroindol-1-yl)-(2,5-dimethylpyrazol-3-yl)methanone.
What is the SMILES notation for (6-amino-5-methyl-2,3-dihydroindol-1-yl)-(2,5-dimethylpyrazol-3-yl)methanone?
The canonical SMILES for (6-amino-5-methyl-2,3-dihydroindol-1-yl)-(2,5-dimethylpyrazol-3-yl)methanone is Cc1cc(C(=O)N2CCc3cc(C)c(N)cc32)n(C)n1.
What is the InChIKey of (6-amino-5-methyl-2,3-dihydroindol-1-yl)-(2,5-dimethylpyrazol-3-yl)methanone?
The InChIKey is BGUKDNGVMCVIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-9-6-11-4-5-19(13(11)8-12(9)16)15(20)14-7-10(2)17-18(14)3/h6-8H,4-5,16H2,1-3H3.
What are the key properties of (6-amino-5-methyl-2,3-dihydroindol-1-yl)-(2,5-dimethylpyrazol-3-yl)methanone?
(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(2,5-dimethylpyrazol-3-yl)methanone has a molecular weight of 270.34 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-5-methyl-2,3-dihydroindol-1-yl)-(2,5-dimethylpyrazol-3-yl)methanone is sourced from PubChem (CID 83212443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).