1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-5-[4-(1,3-oxazol-5-yl)phenyl]pentane-1,4-dione

C21H22N4O3 — CID 146949848

IUPAC1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-5-[4-(1,3-oxazol-5-yl)phenyl]pentane-1,4-dione
SMILESCc1cc2n(n1)CCCN2C(=O)CCC(=O)Cc1ccc(-c2cnco2)cc1
InChIInChI=1S/C21H22N4O3/c1-15-11-20-24(9-2-10-25(20)23-15)21(27)8-7-18(26)12-16-3-5-17(6-4-16)19-13-22-14-28-19/h3-6,11,13-14H,2,7-10,12H2,1H3
InChIKeyAINBZUOCFBDHCH-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.18
Rot. Bonds6

About 1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-5-[4-(1,3-oxazol-5-yl)phenyl]pentane-1,4-dione

1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-5-[4-(1,3-oxazol-5-yl)phenyl]pentane-1,4-dione (PubChem CID 146949848) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-5-[4-(1,3-oxazol-5-yl)phenyl]pentane-1,4-dione.

Molecular Properties

Compound Name1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-5-[4-(1,3-oxazol-5-yl)phenyl]pentane-1,4-dione
PubChem CID146949848
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-5-[4-(1,3-oxazol-5-yl)phenyl]pentane-1,4-dione
SMILESCc1cc2n(n1)CCCN2C(=O)CCC(=O)Cc1ccc(-c2cnco2)cc1
InChIInChI=1S/C21H22N4O3/c1-15-11-20-24(9-2-10-25(20)23-15)21(27)8-7-18(26)12-16-3-5-17(6-4-16)19-13-22-14-28-19/h3-6,11,13-14H,2,7-10,12H2,1H3
InChIKeyAINBZUOCFBDHCH-UHFFFAOYSA-N
XLogP3.18
TPSA81.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-5-[4-(1,3-oxazol-5-yl)phenyl]pentane-1,4-dione with MolForge

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Related Compounds

N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(5-phenyl-1,3-oxazol-2-yl)acetamide
CID 155537512
3-(cyclohexylmethyl)-5-[4-(1,3-oxazol-5-yl)phenyl]-1H-imidazo[4,5-b]pyrazin-2-one
CID 24985874
2-[5-methyl-4-[4-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]piperazine-1-carbonyl]pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 137049571
1,3-Dimethyl-7-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-4-phenylpyrazolo[5,4-b]pyridin-6-one
CID 16027033
US9763922, Example 12
CID 121373393
US9763922, Example 13
CID 121383057
[4-(1,3-Oxazol-5-yl)phenyl]-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone
CID 53591649
N-methyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine
CID 56778227
1-[3-Tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-(1,3-oxazol-5-yl)phenyl]urea
CID 72189808
(5-Phenyl-1,3-oxazol-2-yl)methyl 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 9119591
3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide
CID 56782164
1,3-Dimethyl-7-({5-methyl-2-[4-(propan-2-YL)phenyl]-1,3-oxazol-4-YL}methyl)-4-phenyl-1H,6H,7H-pyrazolo[3,4-B]pyridin-6-one
CID 83275624

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-5-[4-(1,3-oxazol-5-yl)phenyl]pentane-1,4-dione?
The IUPAC name of 1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-5-[4-(1,3-oxazol-5-yl)phenyl]pentane-1,4-dione (CID 146949848) is 1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-5-[4-(1,3-oxazol-5-yl)phenyl]pentane-1,4-dione.
What is the SMILES notation for 1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-5-[4-(1,3-oxazol-5-yl)phenyl]pentane-1,4-dione?
The canonical SMILES for 1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-5-[4-(1,3-oxazol-5-yl)phenyl]pentane-1,4-dione is Cc1cc2n(n1)CCCN2C(=O)CCC(=O)Cc1ccc(-c2cnco2)cc1.
What is the InChIKey of 1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-5-[4-(1,3-oxazol-5-yl)phenyl]pentane-1,4-dione?
The InChIKey is AINBZUOCFBDHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-15-11-20-24(9-2-10-25(20)23-15)21(27)8-7-18(26)12-16-3-5-17(6-4-16)19-13-22-14-28-19/h3-6,11,13-14H,2,7-10,12H2,1H3.
What are the key properties of 1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-5-[4-(1,3-oxazol-5-yl)phenyl]pentane-1,4-dione?
1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-5-[4-(1,3-oxazol-5-yl)phenyl]pentane-1,4-dione has a molecular weight of 378.43 g/mol, XLogP of 3.18, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-5-[4-(1,3-oxazol-5-yl)phenyl]pentane-1,4-dione is sourced from PubChem (CID 146949848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).