1H-indol-4-yl-(3-pyrazol-1-ylpyrrolidin-1-yl)methanone

C16H16N4O — CID 126946391

IUPAC1H-indol-4-yl-(3-pyrazol-1-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1cccc2[nH]ccc12)N1CCC(n2cccn2)C1
InChIInChI=1S/C16H16N4O/c21-16(14-3-1-4-15-13(14)5-8-17-15)19-10-6-12(11-19)20-9-2-7-18-20/h1-5,7-9,12,17H,6,10-11H2
InChIKeyLLZCTOHQGOQBRS-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.45
Rot. Bonds2

About 1H-indol-4-yl-(3-pyrazol-1-ylpyrrolidin-1-yl)methanone

1H-indol-4-yl-(3-pyrazol-1-ylpyrrolidin-1-yl)methanone (PubChem CID 126946391) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 1H-indol-4-yl-(3-pyrazol-1-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name1H-indol-4-yl-(3-pyrazol-1-ylpyrrolidin-1-yl)methanone
PubChem CID126946391
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name1H-indol-4-yl-(3-pyrazol-1-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1cccc2[nH]ccc12)N1CCC(n2cccn2)C1
InChIInChI=1S/C16H16N4O/c21-16(14-3-1-4-15-13(14)5-8-17-15)19-10-6-12(11-19)20-9-2-7-18-20/h1-5,7-9,12,17H,6,10-11H2
InChIKeyLLZCTOHQGOQBRS-UHFFFAOYSA-N
XLogP2.45
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1H-indol-4-yl-(3-pyrazol-1-ylpyrrolidin-1-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-(3-pyrazol-1-ylpyrrolidine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one
CID 138005104
1-[1-(1H-indole-4-carbonyl)pyrrolidin-3-yl]pyrazole-4-carbonitrile
CID 126947621
1H-imidazol-5-yl-(3-pyrazol-1-ylpyrrolidin-1-yl)methanone
CID 126946369
(3-pyrazol-1-ylpyrrolidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 126946676
[3-(1-aminoethyl)pyrrolidin-1-yl]-(1H-indol-4-yl)methanone
CID 103975888
azepan-1-yl(1H-indol-4-yl)methanone
CID 43582350
(4-pyrazol-1-ylpiperidin-1-yl)-(2-sulfanylidene-1H-pyridin-3-yl)methanone
CID 99616335
1H-indol-4-yl-[4-(pyrimidin-4-ylamino)piperidin-1-yl]methanone
CID 126887160
(3-aminoazetidin-1-yl)-(1H-indol-4-yl)methanone
CID 65245171
(6-chloro-1H-indol-3-yl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95273869
3H-benzimidazol-5-yl-(3-pyrazol-1-ylpyrrolidin-1-yl)methanone
CID 126946356
1H-indol-4-yl-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 62968875

Frequently Asked Questions

What is the IUPAC name of 1H-indol-4-yl-(3-pyrazol-1-ylpyrrolidin-1-yl)methanone?
The IUPAC name of 1H-indol-4-yl-(3-pyrazol-1-ylpyrrolidin-1-yl)methanone (CID 126946391) is 1H-indol-4-yl-(3-pyrazol-1-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for 1H-indol-4-yl-(3-pyrazol-1-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for 1H-indol-4-yl-(3-pyrazol-1-ylpyrrolidin-1-yl)methanone is O=C(c1cccc2[nH]ccc12)N1CCC(n2cccn2)C1.
What is the InChIKey of 1H-indol-4-yl-(3-pyrazol-1-ylpyrrolidin-1-yl)methanone?
The InChIKey is LLZCTOHQGOQBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c21-16(14-3-1-4-15-13(14)5-8-17-15)19-10-6-12(11-19)20-9-2-7-18-20/h1-5,7-9,12,17H,6,10-11H2.
What are the key properties of 1H-indol-4-yl-(3-pyrazol-1-ylpyrrolidin-1-yl)methanone?
1H-indol-4-yl-(3-pyrazol-1-ylpyrrolidin-1-yl)methanone has a molecular weight of 280.33 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-4-yl-(3-pyrazol-1-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 126946391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).