[4-(2-aminoethyl)-3,5-dimethylpyrazol-1-yl]-(1H-indol-6-yl)methanone

C16H18N4O — CID 112529947

IUPAC[4-(2-aminoethyl)-3,5-dimethylpyrazol-1-yl]-(1H-indol-6-yl)methanone
SMILESCc1nn(C(=O)c2ccc3cc[nH]c3c2)c(C)c1CCN
InChIInChI=1S/C16H18N4O/c1-10-14(5-7-17)11(2)20(19-10)16(21)13-4-3-12-6-8-18-15(12)9-13/h3-4,6,8-9,18H,5,7,17H2,1-2H3
InChIKeyAGDMUWAEFXIMHT-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.17
Rot. Bonds3

About [4-(2-aminoethyl)-3,5-dimethylpyrazol-1-yl]-(1H-indol-6-yl)methanone

[4-(2-aminoethyl)-3,5-dimethylpyrazol-1-yl]-(1H-indol-6-yl)methanone (PubChem CID 112529947) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is [4-(2-aminoethyl)-3,5-dimethylpyrazol-1-yl]-(1H-indol-6-yl)methanone.

Molecular Properties

Compound Name[4-(2-aminoethyl)-3,5-dimethylpyrazol-1-yl]-(1H-indol-6-yl)methanone
PubChem CID112529947
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name[4-(2-aminoethyl)-3,5-dimethylpyrazol-1-yl]-(1H-indol-6-yl)methanone
SMILESCc1nn(C(=O)c2ccc3cc[nH]c3c2)c(C)c1CCN
InChIInChI=1S/C16H18N4O/c1-10-14(5-7-17)11(2)20(19-10)16(21)13-4-3-12-6-8-18-15(12)9-13/h3-4,6,8-9,18H,5,7,17H2,1-2H3
InChIKeyAGDMUWAEFXIMHT-UHFFFAOYSA-N
XLogP2.17
TPSA76.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [4-(2-aminoethyl)-3,5-dimethylpyrazol-1-yl]-(1H-indol-6-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(2-aminoethyl)-3,5-dimethylpyrazol-1-yl]-(1H-indol-5-yl)methanone
CID 112530023
[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]-(1H-indol-6-yl)methanone
CID 112528487
(4-amino-3,5-dimethylpyrazol-1-yl)-(1H-indol-6-yl)methanone
CID 112525218
(5-aminopyrazol-1-yl)-(1H-indol-6-yl)methanone
CID 112524607
[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]-(1H-indol-4-yl)methanone
CID 112528563
(5-amino-2-methylbenzimidazol-1-yl)-(1H-indol-6-yl)methanone
CID 112527634
(4-amino-2-methylindol-1-yl)-(1H-indol-6-yl)methanone
CID 112526463
1H-indol-6-yl-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95978425
ethane;1H-indole-6-carboxylic acid
CID 142472960
ethyl 1-(1H-indole-6-carbonyl)piperidine-4-carboxylate
CID 39715931
[(1R,5S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(1H-indol-6-yl)methanone
CID 133113342
(2,6-dimethylpiperidin-1-yl)-(1H-indol-6-yl)methanone
CID 55226480

Frequently Asked Questions

What is the IUPAC name of [4-(2-aminoethyl)-3,5-dimethylpyrazol-1-yl]-(1H-indol-6-yl)methanone?
The IUPAC name of [4-(2-aminoethyl)-3,5-dimethylpyrazol-1-yl]-(1H-indol-6-yl)methanone (CID 112529947) is [4-(2-aminoethyl)-3,5-dimethylpyrazol-1-yl]-(1H-indol-6-yl)methanone.
What is the SMILES notation for [4-(2-aminoethyl)-3,5-dimethylpyrazol-1-yl]-(1H-indol-6-yl)methanone?
The canonical SMILES for [4-(2-aminoethyl)-3,5-dimethylpyrazol-1-yl]-(1H-indol-6-yl)methanone is Cc1nn(C(=O)c2ccc3cc[nH]c3c2)c(C)c1CCN.
What is the InChIKey of [4-(2-aminoethyl)-3,5-dimethylpyrazol-1-yl]-(1H-indol-6-yl)methanone?
The InChIKey is AGDMUWAEFXIMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-10-14(5-7-17)11(2)20(19-10)16(21)13-4-3-12-6-8-18-15(12)9-13/h3-4,6,8-9,18H,5,7,17H2,1-2H3.
What are the key properties of [4-(2-aminoethyl)-3,5-dimethylpyrazol-1-yl]-(1H-indol-6-yl)methanone?
[4-(2-aminoethyl)-3,5-dimethylpyrazol-1-yl]-(1H-indol-6-yl)methanone has a molecular weight of 282.35 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-aminoethyl)-3,5-dimethylpyrazol-1-yl]-(1H-indol-6-yl)methanone is sourced from PubChem (CID 112529947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).