3-methyl-1-[2-[(3S,4S)-4-methylpyrrolidin-3-yl]oxan-4-yl]pyrazole

C14H23N3O — CID 141223533

IUPAC3-methyl-1-[2-[(3S,4S)-4-methylpyrrolidin-3-yl]oxan-4-yl]pyrazole
SMILESCc1ccn(C2CCOC([C@@H]3CNC[C@H]3C)C2)n1
InChIInChI=1S/C14H23N3O/c1-10-8-15-9-13(10)14-7-12(4-6-18-14)17-5-3-11(2)16-17/h3,5,10,12-15H,4,6-9H2,1-2H3/t10-,12?,13-,14?/m1/s1
InChIKeyOMEREZVSZNAJNB-AZVOEMOISA-N
MW249.36 g/mol
LogP1.77
Rot. Bonds2

About 3-methyl-1-[2-[(3S,4S)-4-methylpyrrolidin-3-yl]oxan-4-yl]pyrazole

3-methyl-1-[2-[(3S,4S)-4-methylpyrrolidin-3-yl]oxan-4-yl]pyrazole (PubChem CID 141223533) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 3-methyl-1-[2-[(3S,4S)-4-methylpyrrolidin-3-yl]oxan-4-yl]pyrazole.

Molecular Properties

Compound Name3-methyl-1-[2-[(3S,4S)-4-methylpyrrolidin-3-yl]oxan-4-yl]pyrazole
PubChem CID141223533
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name3-methyl-1-[2-[(3S,4S)-4-methylpyrrolidin-3-yl]oxan-4-yl]pyrazole
SMILESCc1ccn(C2CCOC([C@@H]3CNC[C@H]3C)C2)n1
InChIInChI=1S/C14H23N3O/c1-10-8-15-9-13(10)14-7-12(4-6-18-14)17-5-3-11(2)16-17/h3,5,10,12-15H,4,6-9H2,1-2H3/t10-,12?,13-,14?/m1/s1
InChIKeyOMEREZVSZNAJNB-AZVOEMOISA-N
XLogP1.77
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[2-[(3S,4S)-4-methylpyrrolidin-3-yl]oxan-4-yl]pyrazole?
The IUPAC name of 3-methyl-1-[2-[(3S,4S)-4-methylpyrrolidin-3-yl]oxan-4-yl]pyrazole (CID 141223533) is 3-methyl-1-[2-[(3S,4S)-4-methylpyrrolidin-3-yl]oxan-4-yl]pyrazole.
What is the SMILES notation for 3-methyl-1-[2-[(3S,4S)-4-methylpyrrolidin-3-yl]oxan-4-yl]pyrazole?
The canonical SMILES for 3-methyl-1-[2-[(3S,4S)-4-methylpyrrolidin-3-yl]oxan-4-yl]pyrazole is Cc1ccn(C2CCOC([C@@H]3CNC[C@H]3C)C2)n1.
What is the InChIKey of 3-methyl-1-[2-[(3S,4S)-4-methylpyrrolidin-3-yl]oxan-4-yl]pyrazole?
The InChIKey is OMEREZVSZNAJNB-AZVOEMOISA-N. The full InChI is InChI=1S/C14H23N3O/c1-10-8-15-9-13(10)14-7-12(4-6-18-14)17-5-3-11(2)16-17/h3,5,10,12-15H,4,6-9H2,1-2H3/t10-,12?,13-,14?/m1/s1.
What are the key properties of 3-methyl-1-[2-[(3S,4S)-4-methylpyrrolidin-3-yl]oxan-4-yl]pyrazole?
3-methyl-1-[2-[(3S,4S)-4-methylpyrrolidin-3-yl]oxan-4-yl]pyrazole has a molecular weight of 249.36 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[2-[(3S,4S)-4-methylpyrrolidin-3-yl]oxan-4-yl]pyrazole is sourced from PubChem (CID 141223533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).