N-[[5-(2-phenylpent-2-enyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide

C21H28N4O — CID 171134954

IUPACN-[[5-(2-phenylpent-2-enyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide
SMILESCCC=C(CN1CCn2nc(CNC(=O)CC)cc2C1)c1ccccc1
InChIInChI=1S/C21H28N4O/c1-3-8-18(17-9-6-5-7-10-17)15-24-11-12-25-20(16-24)13-19(23-25)14-22-21(26)4-2/h5-10,13H,3-4,11-12,14-16H2,1-2H3,(H,22,26)
InChIKeyOHHCLSDUIPHQCR-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.22
Rot. Bonds7

About N-[[5-(2-phenylpent-2-enyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide

N-[[5-(2-phenylpent-2-enyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide (PubChem CID 171134954) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is N-[[5-(2-phenylpent-2-enyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide.

Molecular Properties

Compound NameN-[[5-(2-phenylpent-2-enyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide
PubChem CID171134954
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC NameN-[[5-(2-phenylpent-2-enyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide
SMILESCCC=C(CN1CCn2nc(CNC(=O)CC)cc2C1)c1ccccc1
InChIInChI=1S/C21H28N4O/c1-3-8-18(17-9-6-5-7-10-17)15-24-11-12-25-20(16-24)13-19(23-25)14-22-21(26)4-2/h5-10,13H,3-4,11-12,14-16H2,1-2H3,(H,22,26)
InChIKeyOHHCLSDUIPHQCR-UHFFFAOYSA-N
XLogP3.22
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[5-(2-phenylpent-2-enyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide with MolForge

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Related Compounds

N-[[5-[2-oxo-2-(2-phenylethylamino)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide
CID 121499645
N-[[5-[(2,5-dimethylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide
CID 118792861
N-[[5-[(4-methoxy-2-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide
CID 121495415
N-[[5-[(4-cyanophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide
CID 118787439
N-[[5-[(3-ethoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide
CID 118792122
N-[[5-[(5-acetylthiophen-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide
CID 118765127
3-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-1-methyl-1-phenylurea
CID 118778801
N-[[5-[(2,3-dimethyl-1H-indol-7-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide
CID 118770884
N-[[5-[(3-ethoxy-4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide
CID 118767723
N-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-indol-1-ylacetamide
CID 118784917
N-[[5-[2-[carbamoyl(methyl)amino]acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide
CID 121494948
3-[[5-[(2-ethylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-1,1-dimethylurea
CID 70774635

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-phenylpent-2-enyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide?
The IUPAC name of N-[[5-(2-phenylpent-2-enyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide (CID 171134954) is N-[[5-(2-phenylpent-2-enyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide.
What is the SMILES notation for N-[[5-(2-phenylpent-2-enyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide?
The canonical SMILES for N-[[5-(2-phenylpent-2-enyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide is CCC=C(CN1CCn2nc(CNC(=O)CC)cc2C1)c1ccccc1.
What is the InChIKey of N-[[5-(2-phenylpent-2-enyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide?
The InChIKey is OHHCLSDUIPHQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-3-8-18(17-9-6-5-7-10-17)15-24-11-12-25-20(16-24)13-19(23-25)14-22-21(26)4-2/h5-10,13H,3-4,11-12,14-16H2,1-2H3,(H,22,26).
What are the key properties of N-[[5-(2-phenylpent-2-enyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide?
N-[[5-(2-phenylpent-2-enyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide has a molecular weight of 352.48 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-phenylpent-2-enyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide is sourced from PubChem (CID 171134954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).