N-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-indol-1-ylacetamide

C21H27N5O — CID 118784917

IUPACN-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-indol-1-ylacetamide
SMILESCCCCN1CCn2nc(CNC(=O)Cn3ccc4ccccc43)cc2C1
InChIInChI=1S/C21H27N5O/c1-2-3-9-24-11-12-26-19(15-24)13-18(23-26)14-22-21(27)16-25-10-8-17-6-4-5-7-20(17)25/h4-8,10,13H,2-3,9,11-12,14-16H2,1H3,(H,22,27)
InChIKeyUMCMUHVPRNXYKE-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.77
Rot. Bonds7

About N-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-indol-1-ylacetamide

N-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-indol-1-ylacetamide (PubChem CID 118784917) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is N-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-indol-1-ylacetamide.

Molecular Properties

Compound NameN-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-indol-1-ylacetamide
PubChem CID118784917
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC NameN-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-indol-1-ylacetamide
SMILESCCCCN1CCn2nc(CNC(=O)Cn3ccc4ccccc43)cc2C1
InChIInChI=1S/C21H27N5O/c1-2-3-9-24-11-12-26-19(15-24)13-18(23-26)14-22-21(27)16-25-10-8-17-6-4-5-7-20(17)25/h4-8,10,13H,2-3,9,11-12,14-16H2,1H3,(H,22,27)
InChIKeyUMCMUHVPRNXYKE-UHFFFAOYSA-N
XLogP2.77
TPSA55.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-indol-1-ylacetamide with MolForge

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Related Compounds

3-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-1-methyl-1-phenylurea
CID 118778801
N-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-(2-methylphenyl)sulfanylacetamide
CID 118771310
N-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 118786259
N-[[5-[2-oxo-2-(2-phenylethylamino)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide
CID 121499645
methyl 2-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methylcarbamoyl]piperidine-1-carboxylate
CID 118780767
N-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-(1H-imidazol-2-yl)benzamide
CID 118795304
(2S)-N-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 121496666
N-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-4,6-dimethylpyrimidin-2-amine
CID 118790526
N-[(5-pentyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]pyrimidin-2-amine
CID 118765107
N-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-4-methoxybenzenesulfonamide
CID 118796062
N-[[5-(2-phenylpent-2-enyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide
CID 171134954
1,1-dimethyl-3-[[5-[(1-methylindol-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]urea
CID 70760444

Frequently Asked Questions

What is the IUPAC name of N-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-indol-1-ylacetamide?
The IUPAC name of N-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-indol-1-ylacetamide (CID 118784917) is N-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-indol-1-ylacetamide.
What is the SMILES notation for N-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-indol-1-ylacetamide?
The canonical SMILES for N-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-indol-1-ylacetamide is CCCCN1CCn2nc(CNC(=O)Cn3ccc4ccccc43)cc2C1.
What is the InChIKey of N-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-indol-1-ylacetamide?
The InChIKey is UMCMUHVPRNXYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O/c1-2-3-9-24-11-12-26-19(15-24)13-18(23-26)14-22-21(27)16-25-10-8-17-6-4-5-7-20(17)25/h4-8,10,13H,2-3,9,11-12,14-16H2,1H3,(H,22,27).
What are the key properties of N-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-indol-1-ylacetamide?
N-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-indol-1-ylacetamide has a molecular weight of 365.48 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-indol-1-ylacetamide is sourced from PubChem (CID 118784917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).