(5-amino-2-methyl-2,3-dihydroindol-1-yl)-(1,5-dimethylpyrazol-4-yl)methanone

C15H18N4O — CID 43550098

IUPAC(5-amino-2-methyl-2,3-dihydroindol-1-yl)-(1,5-dimethylpyrazol-4-yl)methanone
SMILESCc1c(C(=O)N2c3ccc(N)cc3CC2C)cnn1C
InChIInChI=1S/C15H18N4O/c1-9-6-11-7-12(16)4-5-14(11)19(9)15(20)13-8-17-18(3)10(13)2/h4-5,7-9H,6,16H2,1-3H3
InChIKeyNFVYZXBGJPTEMO-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.90
Rot. Bonds1

About (5-amino-2-methyl-2,3-dihydroindol-1-yl)-(1,5-dimethylpyrazol-4-yl)methanone

(5-amino-2-methyl-2,3-dihydroindol-1-yl)-(1,5-dimethylpyrazol-4-yl)methanone (PubChem CID 43550098) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is (5-amino-2-methyl-2,3-dihydroindol-1-yl)-(1,5-dimethylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name(5-amino-2-methyl-2,3-dihydroindol-1-yl)-(1,5-dimethylpyrazol-4-yl)methanone
PubChem CID43550098
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name(5-amino-2-methyl-2,3-dihydroindol-1-yl)-(1,5-dimethylpyrazol-4-yl)methanone
SMILESCc1c(C(=O)N2c3ccc(N)cc3CC2C)cnn1C
InChIInChI=1S/C15H18N4O/c1-9-6-11-7-12(16)4-5-14(11)19(9)15(20)13-8-17-18(3)10(13)2/h4-5,7-9H,6,16H2,1-3H3
InChIKeyNFVYZXBGJPTEMO-UHFFFAOYSA-N
XLogP1.90
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 ≤ 51.90
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

(5-amino-2-methyl-2,3-dihydroindol-1-yl)-(2,5-dibromophenyl)methanone
CID 114367699
(5-amino-2-methyl-2,3-dihydroindol-1-yl)-(2,6-dimethylphenyl)methanone
CID 107999893
5-amino-2-methyl-2,3-dihydroindole-1-carboxamide
CID 43551503
(5-amino-2-methyl-2,3-dihydroindol-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone
CID 115298349
(5-amino-2-methyl-2,3-dihydroindol-1-yl)-(2-fluoro-4-hydroxyphenyl)methanone
CID 107674510
(5-amino-2-methyl-2,3-dihydroindol-1-yl)-cyclohexylmethanone
CID 43550187
(5-amino-2-methyl-2,3-dihydroindol-1-yl)-(5-chlorothiophen-2-yl)methanone
CID 62278189
(5-amino-2-methyl-2,3-dihydroindol-1-yl)-(3-hydroxyphenyl)methanone
CID 43550159
(5-amino-2-methyl-2,3-dihydroindol-1-yl)-(3-ethylthiophen-2-yl)methanone
CID 79985768
(5-amino-2-methyl-2,3-dihydroindol-1-yl)-(2-methylcyclopentyl)methanone
CID 107174842
(2-methyl-2,3-dihydroindol-1-yl)-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 46538773
(5-amino-2-methyl-2,3-dihydroindol-1-yl)-(azepan-1-yl)methanone
CID 79152708

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-methyl-2,3-dihydroindol-1-yl)-(1,5-dimethylpyrazol-4-yl)methanone?
The IUPAC name of (5-amino-2-methyl-2,3-dihydroindol-1-yl)-(1,5-dimethylpyrazol-4-yl)methanone (CID 43550098) is (5-amino-2-methyl-2,3-dihydroindol-1-yl)-(1,5-dimethylpyrazol-4-yl)methanone.
What is the SMILES notation for (5-amino-2-methyl-2,3-dihydroindol-1-yl)-(1,5-dimethylpyrazol-4-yl)methanone?
The canonical SMILES for (5-amino-2-methyl-2,3-dihydroindol-1-yl)-(1,5-dimethylpyrazol-4-yl)methanone is Cc1c(C(=O)N2c3ccc(N)cc3CC2C)cnn1C.
What is the InChIKey of (5-amino-2-methyl-2,3-dihydroindol-1-yl)-(1,5-dimethylpyrazol-4-yl)methanone?
The InChIKey is NFVYZXBGJPTEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-9-6-11-7-12(16)4-5-14(11)19(9)15(20)13-8-17-18(3)10(13)2/h4-5,7-9H,6,16H2,1-3H3.
What are the key properties of (5-amino-2-methyl-2,3-dihydroindol-1-yl)-(1,5-dimethylpyrazol-4-yl)methanone?
(5-amino-2-methyl-2,3-dihydroindol-1-yl)-(1,5-dimethylpyrazol-4-yl)methanone has a molecular weight of 270.34 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-methyl-2,3-dihydroindol-1-yl)-(1,5-dimethylpyrazol-4-yl)methanone is sourced from PubChem (CID 43550098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).