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

C11H15N5O — CID 110269409

IUPAC5-methyl-3-[[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCc1nc(CN2CCCC2c2ccn[nH]2)no1
InChIInChI=1S/C11H15N5O/c1-8-13-11(15-17-8)7-16-6-2-3-10(16)9-4-5-12-14-9/h4-5,10H,2-3,6-7H2,1H3,(H,12,14)
InChIKeyYUDCKBDSLYMSMR-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.44
Rot. Bonds3

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

5-methyl-3-[[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 110269409) has the molecular formula C11H15N5O and a molecular weight of 233.27 g/mol. Its IUPAC name is 5-methyl-3-[[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-methyl-3-[[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID110269409
Molecular FormulaC11H15N5O
Molecular Weight233.27 g/mol
Exact Mass233.13
IUPAC Name5-methyl-3-[[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCc1nc(CN2CCCC2c2ccn[nH]2)no1
InChIInChI=1S/C11H15N5O/c1-8-13-11(15-17-8)7-16-6-2-3-10(16)9-4-5-12-14-9/h4-5,10H,2-3,6-7H2,1H3,(H,12,14)
InChIKeyYUDCKBDSLYMSMR-UHFFFAOYSA-N
XLogP1.44
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[1-(2-methylpropyl)pyrrolidin-2-yl]-1H-pyrazole
CID 110255983
1-methyl-4-[[(2S)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]pyrazole
CID 95841750
1-methyl-2-[[(2S)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]imidazole
CID 95730740
5-[1-[(4-ethoxyphenyl)methyl]pyrrolidin-2-yl]-1H-pyrazole
CID 110258107
1-[(1-methylpyrrol-2-yl)methyl]-2-(1H-pyrazol-5-yl)piperidine
CID 73439904
5-methyl-3-[(2-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
CID 172900478
1-(2-methylpropyl)-2-(1H-pyrazol-5-yl)piperidine
CID 110106146
2-[[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 124641351
2-[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]ethanol
CID 95841214
2-[[(2S)-2-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrazine
CID 124993082
1-[(3-methoxyphenyl)methyl]-2-(1H-pyrazol-5-yl)piperidine
CID 110096187
[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]azepan-2-yl]methanol
CID 116637274

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-methyl-3-[[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole (CID 110269409) is 5-methyl-3-[[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-methyl-3-[[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-methyl-3-[[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole is Cc1nc(CN2CCCC2c2ccn[nH]2)no1.
What is the InChIKey of 5-methyl-3-[[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is YUDCKBDSLYMSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-8-13-11(15-17-8)7-16-6-2-3-10(16)9-4-5-12-14-9/h4-5,10H,2-3,6-7H2,1H3,(H,12,14).
What are the key properties of 5-methyl-3-[[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole?
5-methyl-3-[[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 233.27 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 110269409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).