5-(aminomethyl)-2-(1H-indole-2-carbonyl)-1H-pyrazol-3-one

C13H12N4O2 — CID 112536611

IUPAC5-(aminomethyl)-2-(1H-indole-2-carbonyl)-1H-pyrazol-3-one
SMILESNCc1cc(=O)n(C(=O)c2cc3ccccc3[nH]2)[nH]1
InChIInChI=1S/C13H12N4O2/c14-7-9-6-12(18)17(16-9)13(19)11-5-8-3-1-2-4-10(8)15-11/h1-6,15-16H,7,14H2
InChIKeyVQIVIXWCNSOBLD-UHFFFAOYSA-N
MW256.26 g/mol
LogP0.80
Rot. Bonds2

About 5-(aminomethyl)-2-(1H-indole-2-carbonyl)-1H-pyrazol-3-one

5-(aminomethyl)-2-(1H-indole-2-carbonyl)-1H-pyrazol-3-one (PubChem CID 112536611) has the molecular formula C13H12N4O2 and a molecular weight of 256.26 g/mol. Its IUPAC name is 5-(aminomethyl)-2-(1H-indole-2-carbonyl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name5-(aminomethyl)-2-(1H-indole-2-carbonyl)-1H-pyrazol-3-one
PubChem CID112536611
Molecular FormulaC13H12N4O2
Molecular Weight256.26 g/mol
Exact Mass256.10
IUPAC Name5-(aminomethyl)-2-(1H-indole-2-carbonyl)-1H-pyrazol-3-one
SMILESNCc1cc(=O)n(C(=O)c2cc3ccccc3[nH]2)[nH]1
InChIInChI=1S/C13H12N4O2/c14-7-9-6-12(18)17(16-9)13(19)11-5-8-3-1-2-4-10(8)15-11/h1-6,15-16H,7,14H2
InChIKeyVQIVIXWCNSOBLD-UHFFFAOYSA-N
XLogP0.80
TPSA96.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-cyano-2-(1H-indole-2-carbonyl)-3-oxo-1H-pyrazole-5-carboxylate
CID 44596143
(3-aminoazetidin-1-yl)-(1H-indol-2-yl)methanone
CID 65244567
1H-indol-2-yl-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 54975611
N-[N'-(2-aminoethyl)carbamimidoyl]-1H-indole-2-carboxamide
CID 67645013
2-(1H-indole-2-carbonyl)-5-methyl-4H-pyrazol-3-one
CID 131876108
1H-indole-2-carbothioic S-acid
CID 4713092
ethane;ethyl 1H-indole-2-carboxylate
CID 91376411
1H-indol-2-yl(morpholin-4-yl)methanone
CID 825286
1H-indol-2-yl(piperazin-1-yl)methanone;hydrochloride
CID 47003021
ethane;1H-indole-2-carboxylic acid
CID 91052830
[2-(aminomethyl)-4-methylpiperazin-1-yl]-(1H-indol-2-yl)methanone
CID 80504727
N-[1-(1H-indole-2-carbonyl)piperidin-4-yl]acetamide
CID 49349124

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-(1H-indole-2-carbonyl)-1H-pyrazol-3-one?
The IUPAC name of 5-(aminomethyl)-2-(1H-indole-2-carbonyl)-1H-pyrazol-3-one (CID 112536611) is 5-(aminomethyl)-2-(1H-indole-2-carbonyl)-1H-pyrazol-3-one.
What is the SMILES notation for 5-(aminomethyl)-2-(1H-indole-2-carbonyl)-1H-pyrazol-3-one?
The canonical SMILES for 5-(aminomethyl)-2-(1H-indole-2-carbonyl)-1H-pyrazol-3-one is NCc1cc(=O)n(C(=O)c2cc3ccccc3[nH]2)[nH]1.
What is the InChIKey of 5-(aminomethyl)-2-(1H-indole-2-carbonyl)-1H-pyrazol-3-one?
The InChIKey is VQIVIXWCNSOBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2/c14-7-9-6-12(18)17(16-9)13(19)11-5-8-3-1-2-4-10(8)15-11/h1-6,15-16H,7,14H2.
What are the key properties of 5-(aminomethyl)-2-(1H-indole-2-carbonyl)-1H-pyrazol-3-one?
5-(aminomethyl)-2-(1H-indole-2-carbonyl)-1H-pyrazol-3-one has a molecular weight of 256.26 g/mol, XLogP of 0.80, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-(1H-indole-2-carbonyl)-1H-pyrazol-3-one is sourced from PubChem (CID 112536611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).