3-ethyl-5-[1-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-1,2-oxazole

C20H24N4O — CID 53034995

IUPAC3-ethyl-5-[1-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-1,2-oxazole
SMILESCCc1cc(C2CCCN2Cc2cn[nH]c2-c2ccc(C)cc2)on1
InChIInChI=1S/C20H24N4O/c1-3-17-11-19(25-23-17)18-5-4-10-24(18)13-16-12-21-22-20(16)15-8-6-14(2)7-9-15/h6-9,11-12,18H,3-5,10,13H2,1-2H3,(H,21,22)
InChIKeyOTJKULHEWCTKJK-UHFFFAOYSA-N
MW336.44 g/mol
LogP4.27
Rot. Bonds5

About 3-ethyl-5-[1-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-1,2-oxazole

3-ethyl-5-[1-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-1,2-oxazole (PubChem CID 53034995) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 3-ethyl-5-[1-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-ethyl-5-[1-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-1,2-oxazole
PubChem CID53034995
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name3-ethyl-5-[1-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-1,2-oxazole
SMILESCCc1cc(C2CCCN2Cc2cn[nH]c2-c2ccc(C)cc2)on1
InChIInChI=1S/C20H24N4O/c1-3-17-11-19(25-23-17)18-5-4-10-24(18)13-16-12-21-22-20(16)15-8-6-14(2)7-9-15/h6-9,11-12,18H,3-5,10,13H2,1-2H3,(H,21,22)
InChIKeyOTJKULHEWCTKJK-UHFFFAOYSA-N
XLogP4.27
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-{[3-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl}-1-isoxazol-3-yl-N-methylethanamine
CID 16190863
N-[(3-biphenyl-4-yl-1H-pyrazol-4-yl)methyl]-1-isoxazol-3-yl-N-methylethanamine
CID 16191348
1-(3-biphenyl-4-yl-1H-pyrazol-4-yl)-N-(isoxazol-3-ylmethyl)-N-methylmethanamine
CID 16192264
N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(5-propan-2-yl-1,2-oxazol-3-yl)methanamine
CID 46995086
5-Ethyl-4-(1-{[3-(4-fluorophenyl)-1H-pyrazol-4-YL]methyl}pyrrolidin-2-YL)-3-methyl-1,2-oxazole
CID 50808666
3-(1-{[3-(4-Fluorophenyl)-1H-pyrazol-4-YL]methyl}-2-pyrrolidinyl)-5-methylisoxazole
CID 50809586
3-(1-{[3-(4-Fluorophenyl)-1H-pyrazol-4-YL]methyl}pyrrolidin-2-YL)-5-(propan-2-YL)-1,2-oxazole
CID 50809603
3-(1-{[3-(4-Fluorophenyl)-1H-pyrazol-4-YL]methyl}pyrrolidin-2-YL)-5-propyl-1,2-oxazole
CID 50809604
4-(1-{[3-(4-Fluorophenyl)-1H-pyrazol-4-YL]methyl}pyrrolidin-2-YL)-3,5-dimethyl-1,2-oxazole
CID 50809620
3-phenyl-5-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole
CID 51104399
5-(1-{[3-(4-Fluorophenyl)-1H-pyrazol-4-YL]methyl}pyrrolidin-2-YL)-3-(propan-2-YL)-1,2-oxazole
CID 53035022
N-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-2-(4-methylpyrazol-1-yl)ethanamine
CID 53622850

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-[1-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-1,2-oxazole?
The IUPAC name of 3-ethyl-5-[1-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-1,2-oxazole (CID 53034995) is 3-ethyl-5-[1-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-1,2-oxazole.
What is the SMILES notation for 3-ethyl-5-[1-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-1,2-oxazole?
The canonical SMILES for 3-ethyl-5-[1-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-1,2-oxazole is CCc1cc(C2CCCN2Cc2cn[nH]c2-c2ccc(C)cc2)on1.
What is the InChIKey of 3-ethyl-5-[1-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-1,2-oxazole?
The InChIKey is OTJKULHEWCTKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-3-17-11-19(25-23-17)18-5-4-10-24(18)13-16-12-21-22-20(16)15-8-6-14(2)7-9-15/h6-9,11-12,18H,3-5,10,13H2,1-2H3,(H,21,22).
What are the key properties of 3-ethyl-5-[1-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-1,2-oxazole?
3-ethyl-5-[1-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-1,2-oxazole has a molecular weight of 336.44 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-[1-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-1,2-oxazole is sourced from PubChem (CID 53034995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).