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

C14H16N4O — CID 66120055

IUPAC(4-amino-1,3-dimethylpyrazol-5-yl)-(2,3-dihydroindol-1-yl)methanone
SMILESCc1nn(C)c(C(=O)N2CCc3ccccc32)c1N
InChIInChI=1S/C14H16N4O/c1-9-12(15)13(17(2)16-9)14(19)18-8-7-10-5-3-4-6-11(10)18/h3-6H,7-8,15H2,1-2H3
InChIKeyXOQCQMQQOXXDSX-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.51
Rot. Bonds1

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

(4-amino-1,3-dimethylpyrazol-5-yl)-(2,3-dihydroindol-1-yl)methanone (PubChem CID 66120055) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is (4-amino-1,3-dimethylpyrazol-5-yl)-(2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-1,3-dimethylpyrazol-5-yl)-(2,3-dihydroindol-1-yl)methanone
PubChem CID66120055
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name(4-amino-1,3-dimethylpyrazol-5-yl)-(2,3-dihydroindol-1-yl)methanone
SMILESCc1nn(C)c(C(=O)N2CCc3ccccc32)c1N
InChIInChI=1S/C14H16N4O/c1-9-12(15)13(17(2)16-9)14(19)18-8-7-10-5-3-4-6-11(10)18/h3-6H,7-8,15H2,1-2H3
InChIKeyXOQCQMQQOXXDSX-UHFFFAOYSA-N
XLogP1.51
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-amino-1,3-dimethylpyrazol-5-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 66121435
4-(4-amino-1,3-dimethylpyrazole-5-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 66121842
3,4-dihydro-2H-quinolin-1-yl-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 110682720
4-(2,3-dihydroindole-1-carbonyl)-1-methylpyrazole-5-carboxylic acid
CID 19623835
(4-amino-3-methylphenyl)-(2,3-dihydroindol-1-yl)methanone
CID 16794713
(2-amino-1,3-oxazol-4-yl)-(2,3-dihydroindol-1-yl)methanone
CID 110857028
(4-amino-1-ethyl-3-methylpyrazol-5-yl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103493803
2,3-dihydroindol-1-yl-(1-methyl-5-phenylpyrazol-3-yl)methanone
CID 110336182
2,3-dihydroindol-1-yl-(6-methyl-2-pyridinyl)methanone
CID 33315959
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 1-methyl-6-oxopyridazine-3-carboxylate
CID 55734786
2,3-dihydroindol-1-yl-(1-methylpyrrol-3-yl)methanone
CID 110762714
2,3-dihydroindol-1-yl-(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methanone
CID 110336070

Frequently Asked Questions

What is the IUPAC name of (4-amino-1,3-dimethylpyrazol-5-yl)-(2,3-dihydroindol-1-yl)methanone?
The IUPAC name of (4-amino-1,3-dimethylpyrazol-5-yl)-(2,3-dihydroindol-1-yl)methanone (CID 66120055) is (4-amino-1,3-dimethylpyrazol-5-yl)-(2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for (4-amino-1,3-dimethylpyrazol-5-yl)-(2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for (4-amino-1,3-dimethylpyrazol-5-yl)-(2,3-dihydroindol-1-yl)methanone is Cc1nn(C)c(C(=O)N2CCc3ccccc32)c1N.
What is the InChIKey of (4-amino-1,3-dimethylpyrazol-5-yl)-(2,3-dihydroindol-1-yl)methanone?
The InChIKey is XOQCQMQQOXXDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-9-12(15)13(17(2)16-9)14(19)18-8-7-10-5-3-4-6-11(10)18/h3-6H,7-8,15H2,1-2H3.
What are the key properties of (4-amino-1,3-dimethylpyrazol-5-yl)-(2,3-dihydroindol-1-yl)methanone?
(4-amino-1,3-dimethylpyrazol-5-yl)-(2,3-dihydroindol-1-yl)methanone has a molecular weight of 256.31 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1,3-dimethylpyrazol-5-yl)-(2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 66120055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).