[3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)methanone

C16H23N5O2 — CID 56890492

IUPAC[3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)methanone
SMILESCc1cc2nc(C(=O)N3CCC(O)(CN(C)C)C3)cc(C)n2n1
InChIInChI=1S/C16H23N5O2/c1-11-7-14-17-13(8-12(2)21(14)18-11)15(22)20-6-5-16(23,10-20)9-19(3)4/h7-8,23H,5-6,9-10H2,1-4H3
InChIKeyVLVPEGVPWPYRIZ-UHFFFAOYSA-N
MW317.39 g/mol
LogP0.48
Rot. Bonds3

About [3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)methanone

[3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)methanone (PubChem CID 56890492) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is [3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)methanone.

Molecular Properties

Compound Name[3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)methanone
PubChem CID56890492
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name[3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)methanone
SMILESCc1cc2nc(C(=O)N3CCC(O)(CN(C)C)C3)cc(C)n2n1
InChIInChI=1S/C16H23N5O2/c1-11-7-14-17-13(8-12(2)21(14)18-11)15(22)20-6-5-16(23,10-20)9-19(3)4/h7-8,23H,5-6,9-10H2,1-4H3
InChIKeyVLVPEGVPWPYRIZ-UHFFFAOYSA-N
XLogP0.48
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(3S)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(2,6-dimethyl-4-pyridinyl)methanone
CID 99931569
(2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)-(4-methylpiperazin-1-yl)methanone
CID 110849860
(2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)-thiomorpholin-4-ylmethanone
CID 74251345
(4aR,8aS)-6-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carbonyl)-1,2,3,4,5,7,8,8a-octahydro-1,6-naphthyridine-4a-carboxylic acid
CID 133130337
(2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methanone
CID 56883004
(2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylmethanone
CID 74237900
[(2R,6S)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)methanone
CID 56867040
[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-[2-methyl-6-(2-methylpropyl)pyrimidin-4-yl]methanone
CID 86286647
[(3R)-3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 95724430
[3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methanone
CID 56882248
[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 56909422
[3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(2,5-dimethyl-1-phenylpyrrol-3-yl)methanone
CID 77092444

Frequently Asked Questions

What is the IUPAC name of [3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)methanone?
The IUPAC name of [3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)methanone (CID 56890492) is [3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)methanone.
What is the SMILES notation for [3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)methanone?
The canonical SMILES for [3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)methanone is Cc1cc2nc(C(=O)N3CCC(O)(CN(C)C)C3)cc(C)n2n1.
What is the InChIKey of [3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)methanone?
The InChIKey is VLVPEGVPWPYRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-11-7-14-17-13(8-12(2)21(14)18-11)15(22)20-6-5-16(23,10-20)9-19(3)4/h7-8,23H,5-6,9-10H2,1-4H3.
What are the key properties of [3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)methanone?
[3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)methanone has a molecular weight of 317.39 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)methanone is sourced from PubChem (CID 56890492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).