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

C16H18N4O — CID 112530023

IUPAC[4-(2-aminoethyl)-3,5-dimethylpyrazol-1-yl]-(1H-indol-5-yl)methanone
SMILESCc1nn(C(=O)c2ccc3[nH]ccc3c2)c(C)c1CCN
InChIInChI=1S/C16H18N4O/c1-10-14(5-7-17)11(2)20(19-10)16(21)13-3-4-15-12(9-13)6-8-18-15/h3-4,6,8-9,18H,5,7,17H2,1-2H3
InChIKeyKKNUWBPJXVBRPT-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.17
Rot. Bonds3

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

[4-(2-aminoethyl)-3,5-dimethylpyrazol-1-yl]-(1H-indol-5-yl)methanone (PubChem CID 112530023) 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-5-yl)methanone.

Molecular Properties

Compound Name[4-(2-aminoethyl)-3,5-dimethylpyrazol-1-yl]-(1H-indol-5-yl)methanone
PubChem CID112530023
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name[4-(2-aminoethyl)-3,5-dimethylpyrazol-1-yl]-(1H-indol-5-yl)methanone
SMILESCc1nn(C(=O)c2ccc3[nH]ccc3c2)c(C)c1CCN
InChIInChI=1S/C16H18N4O/c1-10-14(5-7-17)11(2)20(19-10)16(21)13-3-4-15-12(9-13)6-8-18-15/h3-4,6,8-9,18H,5,7,17H2,1-2H3
InChIKeyKKNUWBPJXVBRPT-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

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Related Compounds

[4-(2-aminoethyl)-3,5-dimethylpyrazol-1-yl]-(1H-indol-6-yl)methanone
CID 112529947
[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
[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]-(1H-indol-4-yl)methanone
CID 112528563
(5-aminopyrazol-1-yl)-(1H-indol-6-yl)methanone
CID 112524607
3-(1H-indol-5-yl)-3-oxopropanoic acid
CID 170886874
4-[4-(aminomethyl)-3,5-dimethylpyrazole-1-carbonyl]pyridine-2-carbonitrile
CID 112528470
1-(1H-indol-5-yl)-4-methylpentan-1-one
CID 10976846
[4-[(dimethylamino)methyl]piperidin-1-yl]-(1H-indol-5-yl)methanone
CID 63723758
1H-indol-5-yl-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 63717494
1H-indol-5-yl-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone
CID 121185245
N-(1-amino-2-methylpropan-2-yl)-1H-indole-5-carboxamide
CID 55231181

Frequently Asked Questions

What is the IUPAC name of [4-(2-aminoethyl)-3,5-dimethylpyrazol-1-yl]-(1H-indol-5-yl)methanone?
The IUPAC name of [4-(2-aminoethyl)-3,5-dimethylpyrazol-1-yl]-(1H-indol-5-yl)methanone (CID 112530023) is [4-(2-aminoethyl)-3,5-dimethylpyrazol-1-yl]-(1H-indol-5-yl)methanone.
What is the SMILES notation for [4-(2-aminoethyl)-3,5-dimethylpyrazol-1-yl]-(1H-indol-5-yl)methanone?
The canonical SMILES for [4-(2-aminoethyl)-3,5-dimethylpyrazol-1-yl]-(1H-indol-5-yl)methanone is Cc1nn(C(=O)c2ccc3[nH]ccc3c2)c(C)c1CCN.
What is the InChIKey of [4-(2-aminoethyl)-3,5-dimethylpyrazol-1-yl]-(1H-indol-5-yl)methanone?
The InChIKey is KKNUWBPJXVBRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-10-14(5-7-17)11(2)20(19-10)16(21)13-3-4-15-12(9-13)6-8-18-15/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-5-yl)methanone?
[4-(2-aminoethyl)-3,5-dimethylpyrazol-1-yl]-(1H-indol-5-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-5-yl)methanone is sourced from PubChem (CID 112530023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).