1-(4-aminopyrazol-1-yl)-2-(1H-indol-6-yl)ethanone

C13H12N4O — CID 112525009

IUPAC1-(4-aminopyrazol-1-yl)-2-(1H-indol-6-yl)ethanone
SMILESNc1cnn(C(=O)Cc2ccc3cc[nH]c3c2)c1
InChIInChI=1S/C13H12N4O/c14-11-7-16-17(8-11)13(18)6-9-1-2-10-3-4-15-12(10)5-9/h1-5,7-8,15H,6,14H2
InChIKeyKPROWRCNXPADHD-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.83
Rot. Bonds2

About 1-(4-aminopyrazol-1-yl)-2-(1H-indol-6-yl)ethanone

1-(4-aminopyrazol-1-yl)-2-(1H-indol-6-yl)ethanone (PubChem CID 112525009) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 1-(4-aminopyrazol-1-yl)-2-(1H-indol-6-yl)ethanone.

Molecular Properties

Compound Name1-(4-aminopyrazol-1-yl)-2-(1H-indol-6-yl)ethanone
PubChem CID112525009
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name1-(4-aminopyrazol-1-yl)-2-(1H-indol-6-yl)ethanone
SMILESNc1cnn(C(=O)Cc2ccc3cc[nH]c3c2)c1
InChIInChI=1S/C13H12N4O/c14-11-7-16-17(8-11)13(18)6-9-1-2-10-3-4-15-12(10)5-9/h1-5,7-8,15H,6,14H2
InChIKeyKPROWRCNXPADHD-UHFFFAOYSA-N
XLogP1.83
TPSA76.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-aminopyrazol-1-yl)-2-(1H-indol-6-yl)ethanone
CID 112524612
1-(3-aminopyrrolidin-1-yl)-2-(1H-indol-6-yl)ethanone
CID 112530782
1-(4-ethylpiperazin-1-yl)-2-(1H-indol-6-yl)ethanone
CID 84577281
1-(3-aminopiperidin-1-yl)-2-(1H-indol-6-yl)ethanone
CID 112530969
1-[4-(hydroxymethyl)piperidin-1-yl]-2-(1H-indol-6-yl)ethanone
CID 112531741
N-benzyl-2-(1H-indol-6-yl)acetamide
CID 54366810
methyl 1-[2-(1H-indol-6-yl)acetyl]piperidine-4-carboxylate
CID 112531678
1-(3-aminoindol-1-yl)-2-(1H-indol-5-yl)ethanone
CID 112526956
2-(1H-indol-6-yl)-N-(3,3,3-trifluoropropyl)acetamide
CID 112527774
3-(1H-indol-6-yl)propanoic acid
CID 23178857
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-1H-indole-6-carboxamide
CID 79523236
ethyl 1-[2-(1H-indol-6-yl)acetyl]piperidine-3-carboxylate
CID 84577392

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopyrazol-1-yl)-2-(1H-indol-6-yl)ethanone?
The IUPAC name of 1-(4-aminopyrazol-1-yl)-2-(1H-indol-6-yl)ethanone (CID 112525009) is 1-(4-aminopyrazol-1-yl)-2-(1H-indol-6-yl)ethanone.
What is the SMILES notation for 1-(4-aminopyrazol-1-yl)-2-(1H-indol-6-yl)ethanone?
The canonical SMILES for 1-(4-aminopyrazol-1-yl)-2-(1H-indol-6-yl)ethanone is Nc1cnn(C(=O)Cc2ccc3cc[nH]c3c2)c1.
What is the InChIKey of 1-(4-aminopyrazol-1-yl)-2-(1H-indol-6-yl)ethanone?
The InChIKey is KPROWRCNXPADHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c14-11-7-16-17(8-11)13(18)6-9-1-2-10-3-4-15-12(10)5-9/h1-5,7-8,15H,6,14H2.
What are the key properties of 1-(4-aminopyrazol-1-yl)-2-(1H-indol-6-yl)ethanone?
1-(4-aminopyrazol-1-yl)-2-(1H-indol-6-yl)ethanone has a molecular weight of 240.27 g/mol, XLogP of 1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopyrazol-1-yl)-2-(1H-indol-6-yl)ethanone is sourced from PubChem (CID 112525009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).