(1-methylimidazo[2,1-e]pyrazol-7-yl)-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone

C17H21N5O2 — CID 50977393

IUPAC(1-methylimidazo[2,1-e]pyrazol-7-yl)-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
SMILESCC(C)c1cc(C2CCCN2C(=O)c2cnn3ccn(C)c23)no1
InChIInChI=1S/C17H21N5O2/c1-11(2)15-9-13(19-24-15)14-5-4-6-21(14)17(23)12-10-18-22-8-7-20(3)16(12)22/h7-11,14H,4-6H2,1-3H3
InChIKeyJPMYOXAKVCTIMC-UHFFFAOYSA-N
MW327.39 g/mol
LogP2.76
Rot. Bonds3

About (1-methylimidazo[2,1-e]pyrazol-7-yl)-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone

(1-methylimidazo[2,1-e]pyrazol-7-yl)-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone (PubChem CID 50977393) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is (1-methylimidazo[2,1-e]pyrazol-7-yl)-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(1-methylimidazo[2,1-e]pyrazol-7-yl)-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
PubChem CID50977393
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name(1-methylimidazo[2,1-e]pyrazol-7-yl)-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
SMILESCC(C)c1cc(C2CCCN2C(=O)c2cnn3ccn(C)c23)no1
InChIInChI=1S/C17H21N5O2/c1-11(2)15-9-13(19-24-15)14-5-4-6-21(14)17(23)12-10-18-22-8-7-20(3)16(12)22/h7-11,14H,4-6H2,1-3H3
InChIKeyJPMYOXAKVCTIMC-UHFFFAOYSA-N
XLogP2.76
TPSA68.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(5-Methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 50809145
3-(1-{6-Bromopyrazolo[1,5-A]pyrimidine-3-carbonyl}pyrrolidin-2-YL)-5-propyl-1,2-oxazole
CID 50809202
N-[(3-isopropylisoxazol-5-yl)methyl]-N,1-dimethyl-1H-imidazo[1,2-b]pyrazole-7-carboxamide
CID 50953672
7-{[2-(3,5-dimethylisoxazol-4-yl)pyrrolidin-1-yl]carbonyl}-1-methyl-1H-imidazo[1,2-b]pyrazole
CID 50961298
N-(2-(1H-imidazo[1,2-b]pyrazol-1-yl)ethyl)-5-phenylisoxazole-3-carboxamide
CID 76148264
N-(2-(1H-imidazo[1,2-b]pyrazol-1-yl)ethyl)-5-cyclopropylisoxazole-3-carboxamide
CID 76148287
[3-Hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone
CID 168452808
[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 118667108
1,4-Ditert-butylimidazole;3,5-ditert-butyl-1,2,4-oxadiazole;bis(3,5-ditert-butyl-1,2-oxazole);1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole
CID 160718147
3-(3-Tert-butyl-1,2-oxazol-5-yl)-1-methyl-1-[2-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)-2-azaspiro[3.3]heptan-6-yl]urea
CID 172625015
3-(3-Cyclopropyl-1,2-oxazol-5-yl)-1-methyl-1-[2-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)-2-azaspiro[3.3]heptan-6-yl]urea
CID 172625025
5-methyl-3-[(2S)-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]-1,2-oxazole
CID 36725973

Frequently Asked Questions

What is the IUPAC name of (1-methylimidazo[2,1-e]pyrazol-7-yl)-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (1-methylimidazo[2,1-e]pyrazol-7-yl)-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone (CID 50977393) is (1-methylimidazo[2,1-e]pyrazol-7-yl)-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (1-methylimidazo[2,1-e]pyrazol-7-yl)-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (1-methylimidazo[2,1-e]pyrazol-7-yl)-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone is CC(C)c1cc(C2CCCN2C(=O)c2cnn3ccn(C)c23)no1.
What is the InChIKey of (1-methylimidazo[2,1-e]pyrazol-7-yl)-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone?
The InChIKey is JPMYOXAKVCTIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-11(2)15-9-13(19-24-15)14-5-4-6-21(14)17(23)12-10-18-22-8-7-20(3)16(12)22/h7-11,14H,4-6H2,1-3H3.
What are the key properties of (1-methylimidazo[2,1-e]pyrazol-7-yl)-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone?
(1-methylimidazo[2,1-e]pyrazol-7-yl)-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone has a molecular weight of 327.39 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylimidazo[2,1-e]pyrazol-7-yl)-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 50977393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).