5-[[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

C17H19N5O — CID 120760812

IUPAC5-[[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESN[C@@H]1CN(Cc2cc(=O)n3[nH]ccc3n2)C[C@H]1c1ccccc1
InChIInChI=1S/C17H19N5O/c18-15-11-21(10-14(15)12-4-2-1-3-5-12)9-13-8-17(23)22-16(20-13)6-7-19-22/h1-8,14-15,19H,9-11,18H2/t14-,15+/m0/s1
InChIKeyUWGFLGXFQDHDBY-LSDHHAIUSA-N
MW309.37 g/mol
LogP0.95
Rot. Bonds3

About 5-[[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-[[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 120760812) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 5-[[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID120760812
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name5-[[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESN[C@@H]1CN(Cc2cc(=O)n3[nH]ccc3n2)C[C@H]1c1ccccc1
InChIInChI=1S/C17H19N5O/c18-15-11-21(10-14(15)12-4-2-1-3-5-12)9-13-8-17(23)22-16(20-13)6-7-19-22/h1-8,14-15,19H,9-11,18H2/t14-,15+/m0/s1
InChIKeyUWGFLGXFQDHDBY-LSDHHAIUSA-N
XLogP0.95
TPSA79.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[(2R,5S)-2-methyl-5-phenylmorpholin-4-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 98775409
2-[[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 120760652
5-[[4-[(Z)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 98513713
(3S,4R)-1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-phenylpyrrolidin-3-amine
CID 120761299
(3S,4R)-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-4-phenylpyrrolidin-3-amine
CID 120770036
(3S,4R)-4-phenyl-1-(thiadiazol-4-ylmethyl)pyrrolidin-3-amine
CID 120769866
5-[(3-methoxy-3,4-dihydro-2H-quinolin-1-yl)methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 167972124
(3S,4R)-1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120770225
(3S,4R)-1-[(5-chloro-2-fluorophenyl)methyl]-4-phenylpyrrolidin-3-amine
CID 120770008
(3S,4R)-1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-4-phenylpyrrolidin-3-amine
CID 120761019
(3S,4R)-4-phenyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-amine;dihydrochloride
CID 120761556
2-(3-amino-4-phenylpyrrolidin-1-yl)acetonitrile
CID 118128434

Frequently Asked Questions

What is the IUPAC name of 5-[[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-[[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 120760812) is 5-[[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-[[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is N[C@@H]1CN(Cc2cc(=O)n3[nH]ccc3n2)C[C@H]1c1ccccc1.
What is the InChIKey of 5-[[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is UWGFLGXFQDHDBY-LSDHHAIUSA-N. The full InChI is InChI=1S/C17H19N5O/c18-15-11-21(10-14(15)12-4-2-1-3-5-12)9-13-8-17(23)22-16(20-13)6-7-19-22/h1-8,14-15,19H,9-11,18H2/t14-,15+/m0/s1.
What are the key properties of 5-[[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-[[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 309.37 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 120760812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).