(5-aminopyrazol-1-yl)-(1H-indol-6-yl)methanone

C12H10N4O — CID 112524607

IUPAC(5-aminopyrazol-1-yl)-(1H-indol-6-yl)methanone
SMILESNc1ccnn1C(=O)c1ccc2cc[nH]c2c1
InChIInChI=1S/C12H10N4O/c13-11-4-6-15-16(11)12(17)9-2-1-8-3-5-14-10(8)7-9/h1-7,14H,13H2
InChIKeyVTLSACBORWRYGW-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.64
Rot. Bonds1

About (5-aminopyrazol-1-yl)-(1H-indol-6-yl)methanone

(5-aminopyrazol-1-yl)-(1H-indol-6-yl)methanone (PubChem CID 112524607) has the molecular formula C12H10N4O and a molecular weight of 226.24 g/mol. Its IUPAC name is (5-aminopyrazol-1-yl)-(1H-indol-6-yl)methanone.

Molecular Properties

Compound Name(5-aminopyrazol-1-yl)-(1H-indol-6-yl)methanone
PubChem CID112524607
Molecular FormulaC12H10N4O
Molecular Weight226.24 g/mol
Exact Mass226.09
IUPAC Name(5-aminopyrazol-1-yl)-(1H-indol-6-yl)methanone
SMILESNc1ccnn1C(=O)c1ccc2cc[nH]c2c1
InChIInChI=1S/C12H10N4O/c13-11-4-6-15-16(11)12(17)9-2-1-8-3-5-14-10(8)7-9/h1-7,14H,13H2
InChIKeyVTLSACBORWRYGW-UHFFFAOYSA-N
XLogP1.64
TPSA76.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4-amino-3,5-dimethylpyrazol-1-yl)-(1H-indol-6-yl)methanone
CID 112525218
1-(5-aminopyrazol-1-yl)-2-(1H-indol-6-yl)ethanone
CID 112524612
[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]-(1H-indol-6-yl)methanone
CID 112528487
[4-(2-aminoethyl)-3,5-dimethylpyrazol-1-yl]-(1H-indol-6-yl)methanone
CID 112529947
[4-(furan-2-carbonyl)piperazin-1-yl]-(1H-indol-6-yl)methanone
CID 110695005
(5-amino-2-methylbenzimidazol-1-yl)-(1H-indol-6-yl)methanone
CID 112527634
5,7-dihydropyrrolo[3,4-b]pyridin-6-yl(1H-indol-6-yl)methanone
CID 121184526
ethane;1H-indole-6-carboxylic acid
CID 142472960
(4-amino-2-methylindol-1-yl)-(1H-indol-6-yl)methanone
CID 112526463
(2,6-dimethylpiperidin-1-yl)-(1H-indol-6-yl)methanone
CID 55226480
(3S,4S)-1-(1H-indole-6-carbonyl)-4-methylpyrrolidine-3-carboxamide
CID 128983948
chloro 1H-indole-6-carboxylate
CID 175606503

Frequently Asked Questions

What is the IUPAC name of (5-aminopyrazol-1-yl)-(1H-indol-6-yl)methanone?
The IUPAC name of (5-aminopyrazol-1-yl)-(1H-indol-6-yl)methanone (CID 112524607) is (5-aminopyrazol-1-yl)-(1H-indol-6-yl)methanone.
What is the SMILES notation for (5-aminopyrazol-1-yl)-(1H-indol-6-yl)methanone?
The canonical SMILES for (5-aminopyrazol-1-yl)-(1H-indol-6-yl)methanone is Nc1ccnn1C(=O)c1ccc2cc[nH]c2c1.
What is the InChIKey of (5-aminopyrazol-1-yl)-(1H-indol-6-yl)methanone?
The InChIKey is VTLSACBORWRYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O/c13-11-4-6-15-16(11)12(17)9-2-1-8-3-5-14-10(8)7-9/h1-7,14H,13H2.
What are the key properties of (5-aminopyrazol-1-yl)-(1H-indol-6-yl)methanone?
(5-aminopyrazol-1-yl)-(1H-indol-6-yl)methanone has a molecular weight of 226.24 g/mol, XLogP of 1.64, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-aminopyrazol-1-yl)-(1H-indol-6-yl)methanone is sourced from PubChem (CID 112524607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).