4-[1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole

C18H23N5O — CID 56708352

IUPAC4-[1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole
SMILESCc1cc(C)n2ncc(CN3CCCC3c3c(C)noc3C)c2n1
InChIInChI=1S/C18H23N5O/c1-11-8-12(2)23-18(20-11)15(9-19-23)10-22-7-5-6-16(22)17-13(3)21-24-14(17)4/h8-9,16H,5-7,10H2,1-4H3
InChIKeyCRUUKSYLRIJURR-UHFFFAOYSA-N
MW325.42 g/mol
LogP3.29
Rot. Bonds3

About 4-[1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole

4-[1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 56708352) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is 4-[1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole
PubChem CID56708352
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name4-[1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole
SMILESCc1cc(C)n2ncc(CN3CCCC3c3c(C)noc3C)c2n1
InChIInChI=1S/C18H23N5O/c1-11-8-12(2)23-18(20-11)15(9-19-23)10-22-7-5-6-16(22)17-13(3)21-24-14(17)4/h8-9,16H,5-7,10H2,1-4H3
InChIKeyCRUUKSYLRIJURR-UHFFFAOYSA-N
XLogP3.29
TPSA59.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole with MolForge

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Related Compounds

4-{1-[5-Cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-A]pyrimidine-2-carbonyl]pyrrolidin-2-YL}-3,5-dimethyl-1,2-oxazole
CID 46366283
4-{1-[5-Cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-A]pyrimidine-2-carbonyl]pyrrolidin-2-YL}-5-ethyl-3-methyl-1,2-oxazole
CID 46366309
7-(Difluoromethyl)-3-{[2-(3,5-dimethyl-4-isoxazolyl)-1-pyrrolidinyl]carbonyl}-5-phenylpyrazolo[1,5-a]pyrimidine
CID 47001701
5-Methyl-3-{1-[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-A]pyrimidine-3-carbonyl]pyrrolidin-2-YL}-1,2-oxazole
CID 50809094
3-{1-[7-(Difluoromethyl)-5-phenylpyrazolo[1,5-A]pyrimidine-3-carbonyl]pyrrolidin-2-YL}-5-methyl-1,2-oxazole
CID 50809219
1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine
CID 53500752
5-propyl-N-[(3-propyl-1,2-oxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 56884311
N-[(3,5-dimethyl-4-isoxazolyl)methyl]-N,2,3,5-tetramethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 56885678
N-[(5-methyl-3-isoxazolyl)methyl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine
CID 56898648
N-[(5-cyclopropyl-3-isoxazolyl)methyl]-5-isopropyl-N-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 56915008
5-ethyl-N-[(5-isobutylisoxazol-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 70747822
6-cyclopentyl-N-[(3,5-dimethylisoxazol-4-yl)methyl]-N,1-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 70774744

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole (CID 56708352) is 4-[1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole is Cc1cc(C)n2ncc(CN3CCCC3c3c(C)noc3C)c2n1.
What is the InChIKey of 4-[1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is CRUUKSYLRIJURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-11-8-12(2)23-18(20-11)15(9-19-23)10-22-7-5-6-16(22)17-13(3)21-24-14(17)4/h8-9,16H,5-7,10H2,1-4H3.
What are the key properties of 4-[1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole?
4-[1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 325.42 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 56708352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).