(2R)-4-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[(4-methoxyphenyl)methyl]morpholine

C20H29N3O2 — CID 25385477

IUPAC(2R)-4-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[(4-methoxyphenyl)methyl]morpholine
SMILESCOc1ccc(C[C@@H]2CN(CCCn3nc(C)cc3C)CCO2)cc1
InChIInChI=1S/C20H29N3O2/c1-16-13-17(2)23(21-16)10-4-9-22-11-12-25-20(15-22)14-18-5-7-19(24-3)8-6-18/h5-8,13,20H,4,9-12,14-15H2,1-3H3/t20-/m1/s1
InChIKeyCJBHLPYRVVJLLK-HXUWFJFHSA-N
MW343.47 g/mol
LogP2.84
Rot. Bonds7

About (2R)-4-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[(4-methoxyphenyl)methyl]morpholine

(2R)-4-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[(4-methoxyphenyl)methyl]morpholine (PubChem CID 25385477) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is (2R)-4-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[(4-methoxyphenyl)methyl]morpholine.

Molecular Properties

Compound Name(2R)-4-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[(4-methoxyphenyl)methyl]morpholine
PubChem CID25385477
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name(2R)-4-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[(4-methoxyphenyl)methyl]morpholine
SMILESCOc1ccc(C[C@@H]2CN(CCCn3nc(C)cc3C)CCO2)cc1
InChIInChI=1S/C20H29N3O2/c1-16-13-17(2)23(21-16)10-4-9-22-11-12-25-20(15-22)14-18-5-7-19(24-3)8-6-18/h5-8,13,20H,4,9-12,14-15H2,1-3H3/t20-/m1/s1
InChIKeyCJBHLPYRVVJLLK-HXUWFJFHSA-N
XLogP2.84
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[(4-methoxyphenyl)methyl]morpholine?
The IUPAC name of (2R)-4-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[(4-methoxyphenyl)methyl]morpholine (CID 25385477) is (2R)-4-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[(4-methoxyphenyl)methyl]morpholine.
What is the SMILES notation for (2R)-4-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[(4-methoxyphenyl)methyl]morpholine?
The canonical SMILES for (2R)-4-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[(4-methoxyphenyl)methyl]morpholine is COc1ccc(C[C@@H]2CN(CCCn3nc(C)cc3C)CCO2)cc1.
What is the InChIKey of (2R)-4-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[(4-methoxyphenyl)methyl]morpholine?
The InChIKey is CJBHLPYRVVJLLK-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-16-13-17(2)23(21-16)10-4-9-22-11-12-25-20(15-22)14-18-5-7-19(24-3)8-6-18/h5-8,13,20H,4,9-12,14-15H2,1-3H3/t20-/m1/s1.
What are the key properties of (2R)-4-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[(4-methoxyphenyl)methyl]morpholine?
(2R)-4-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[(4-methoxyphenyl)methyl]morpholine has a molecular weight of 343.47 g/mol, XLogP of 2.84, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[(4-methoxyphenyl)methyl]morpholine is sourced from PubChem (CID 25385477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).