(2S,6R)-2,6-dimethyl-4-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]morpholine

C13H23N3O — CID 29180566

IUPAC(2S,6R)-2,6-dimethyl-4-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]morpholine
SMILESCC(C)c1cc(CN2C[C@@H](C)O[C@@H](C)C2)[nH]n1
InChIInChI=1S/C13H23N3O/c1-9(2)13-5-12(14-15-13)8-16-6-10(3)17-11(4)7-16/h5,9-11H,6-8H2,1-4H3,(H,14,15)/t10-,11+
InChIKeyBWWVPBJZYAMOLG-PHIMTYICSA-N
MW237.35 g/mol
LogP2.14
Rot. Bonds3

About (2S,6R)-2,6-dimethyl-4-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]morpholine

(2S,6R)-2,6-dimethyl-4-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]morpholine (PubChem CID 29180566) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is (2S,6R)-2,6-dimethyl-4-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]morpholine.

Molecular Properties

Compound Name(2S,6R)-2,6-dimethyl-4-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]morpholine
PubChem CID29180566
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name(2S,6R)-2,6-dimethyl-4-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]morpholine
SMILESCC(C)c1cc(CN2C[C@@H](C)O[C@@H](C)C2)[nH]n1
InChIInChI=1S/C13H23N3O/c1-9(2)13-5-12(14-15-13)8-16-6-10(3)17-11(4)7-16/h5,9-11H,6-8H2,1-4H3,(H,14,15)/t10-,11+
InChIKeyBWWVPBJZYAMOLG-PHIMTYICSA-N
XLogP2.14
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2,6-dimethyl-4-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]morpholine?
The IUPAC name of (2S,6R)-2,6-dimethyl-4-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]morpholine (CID 29180566) is (2S,6R)-2,6-dimethyl-4-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]morpholine.
What is the SMILES notation for (2S,6R)-2,6-dimethyl-4-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]morpholine?
The canonical SMILES for (2S,6R)-2,6-dimethyl-4-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]morpholine is CC(C)c1cc(CN2C[C@@H](C)O[C@@H](C)C2)[nH]n1.
What is the InChIKey of (2S,6R)-2,6-dimethyl-4-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]morpholine?
The InChIKey is BWWVPBJZYAMOLG-PHIMTYICSA-N. The full InChI is InChI=1S/C13H23N3O/c1-9(2)13-5-12(14-15-13)8-16-6-10(3)17-11(4)7-16/h5,9-11H,6-8H2,1-4H3,(H,14,15)/t10-,11+.
What are the key properties of (2S,6R)-2,6-dimethyl-4-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]morpholine?
(2S,6R)-2,6-dimethyl-4-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]morpholine has a molecular weight of 237.35 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2,6-dimethyl-4-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]morpholine is sourced from PubChem (CID 29180566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).