N-[[5-[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide

C20H26FN5O — CID 126433352

IUPACN-[[5-[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide
SMILESCCC(=O)NCc1cc2n(n1)CCN([C@H]1CCN(c3ccc(F)cc3)C1)C2
InChIInChI=1S/C20H26FN5O/c1-2-20(27)22-12-16-11-19-14-25(9-10-26(19)23-16)18-7-8-24(13-18)17-5-3-15(21)4-6-17/h3-6,11,18H,2,7-10,12-14H2,1H3,(H,22,27)/t18-/m0/s1
InChIKeyNMFSACDQCYLZIF-SFHVURJKSA-N
MW371.46 g/mol
LogP2.14
Rot. Bonds5

About N-[[5-[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide

N-[[5-[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide (PubChem CID 126433352) has the molecular formula C20H26FN5O and a molecular weight of 371.46 g/mol. Its IUPAC name is N-[[5-[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide.

Molecular Properties

Compound NameN-[[5-[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide
PubChem CID126433352
Molecular FormulaC20H26FN5O
Molecular Weight371.46 g/mol
Exact Mass371.21
IUPAC NameN-[[5-[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide
SMILESCCC(=O)NCc1cc2n(n1)CCN([C@H]1CCN(c3ccc(F)cc3)C1)C2
InChIInChI=1S/C20H26FN5O/c1-2-20(27)22-12-16-11-19-14-25(9-10-26(19)23-16)18-7-8-24(13-18)17-5-3-15(21)4-6-17/h3-6,11,18H,2,7-10,12-14H2,1H3,(H,22,27)/t18-/m0/s1
InChIKeyNMFSACDQCYLZIF-SFHVURJKSA-N
XLogP2.14
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-N-[[5-[(3R)-1-phenylpyrrolidin-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide
CID 126440471
N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-(tetrazol-1-yl)acetamide
CID 72908965
N-[[5-[(1R)-cyclohex-3-ene-1-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide
CID 126450826
[1-[1-[1-(4-fluorophenyl)pyrrolidin-3-yl]piperidin-4-yl]triazol-4-yl]methylurea
CID 45245897
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-(7-fluoro-1-benzofuran-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide
CID 121499874
N-[[5-[2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide
CID 126443379
N-[[5-[(4-cyanophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide
CID 118787439
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-phenylpent-2-enyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide
CID 171134954
N-[[5-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide
CID 70726346

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide?
The IUPAC name of N-[[5-[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide (CID 126433352) is N-[[5-[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide.
What is the SMILES notation for N-[[5-[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide?
The canonical SMILES for N-[[5-[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide is CCC(=O)NCc1cc2n(n1)CCN([C@H]1CCN(c3ccc(F)cc3)C1)C2.
What is the InChIKey of N-[[5-[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide?
The InChIKey is NMFSACDQCYLZIF-SFHVURJKSA-N. The full InChI is InChI=1S/C20H26FN5O/c1-2-20(27)22-12-16-11-19-14-25(9-10-26(19)23-16)18-7-8-24(13-18)17-5-3-15(21)4-6-17/h3-6,11,18H,2,7-10,12-14H2,1H3,(H,22,27)/t18-/m0/s1.
What are the key properties of N-[[5-[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide?
N-[[5-[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide has a molecular weight of 371.46 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide is sourced from PubChem (CID 126433352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).