(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-[3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]methanone

C21H24N4O2 — CID 72863040

IUPAC(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-[3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]methanone
SMILESCc1cc(C)n2nc(C(=O)N3CCC(Cc4ccc(CO)cc4)C3)cc2n1
InChIInChI=1S/C21H24N4O2/c1-14-9-15(2)25-20(22-14)11-19(23-25)21(27)24-8-7-18(12-24)10-16-3-5-17(13-26)6-4-16/h3-6,9,11,18,26H,7-8,10,12-13H2,1-2H3
InChIKeyLYBRSXMHIGAKNE-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.54
Rot. Bonds4

About (5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-[3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]methanone

(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-[3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]methanone (PubChem CID 72863040) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is (5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-[3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-[3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]methanone
PubChem CID72863040
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-[3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]methanone
SMILESCc1cc(C)n2nc(C(=O)N3CCC(Cc4ccc(CO)cc4)C3)cc2n1
InChIInChI=1S/C21H24N4O2/c1-14-9-15(2)25-20(22-14)11-19(23-25)21(27)24-8-7-18(12-24)10-16-3-5-17(13-26)6-4-16/h3-6,9,11,18,26H,7-8,10,12-13H2,1-2H3
InChIKeyLYBRSXMHIGAKNE-UHFFFAOYSA-N
XLogP2.54
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1-ethyl-5-methylpyrazol-3-yl)-[(3R)-3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]methanone
CID 97121185
(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 125000271
[3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]-(5-methyl-1H-imidazol-2-yl)methanone
CID 72845401
(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone
CID 124943487
(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-[3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone
CID 110104905
2-[2-[3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]-2-oxoethyl]-5,6-dimethylpyridazin-3-one
CID 86283692
(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-[(3R)-4-methyl-3-phenylpiperazin-1-yl]methanone
CID 124958848
[(1R,5R)-6-(cyclobutylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)methanone
CID 70778454
2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1-[(3R)-3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]ethanone
CID 97110252
(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-[3-(3-methylphenoxy)azetidin-1-yl]methanone
CID 70770628
[(3R)-3-(3,4-difluoroanilino)piperidin-1-yl]-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)methanone
CID 25450118
cyclobutyl-[(3S)-3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]methanone
CID 97133116

Frequently Asked Questions

What is the IUPAC name of (5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-[3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]methanone?
The IUPAC name of (5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-[3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]methanone (CID 72863040) is (5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-[3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-[3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-[3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]methanone is Cc1cc(C)n2nc(C(=O)N3CCC(Cc4ccc(CO)cc4)C3)cc2n1.
What is the InChIKey of (5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-[3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]methanone?
The InChIKey is LYBRSXMHIGAKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-14-9-15(2)25-20(22-14)11-19(23-25)21(27)24-8-7-18(12-24)10-16-3-5-17(13-26)6-4-16/h3-6,9,11,18,26H,7-8,10,12-13H2,1-2H3.
What are the key properties of (5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-[3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]methanone?
(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-[3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]methanone has a molecular weight of 364.45 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-[3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 72863040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).