tert-butyl 3-[1-hydroxy-2-(1-methylpyrazol-3-yl)ethyl]morpholine-4-carboxylate

C15H25N3O4 — CID 103554264

IUPACtert-butyl 3-[1-hydroxy-2-(1-methylpyrazol-3-yl)ethyl]morpholine-4-carboxylate
SMILESCn1ccc(CC(O)C2COCCN2C(=O)OC(C)(C)C)n1
InChIInChI=1S/C15H25N3O4/c1-15(2,3)22-14(20)18-7-8-21-10-12(18)13(19)9-11-5-6-17(4)16-11/h5-6,12-13,19H,7-10H2,1-4H3
InChIKeyCBGIUXUVYXYDOJ-UHFFFAOYSA-N
MW311.38 g/mol
LogP0.96
Rot. Bonds3

About tert-butyl 3-[1-hydroxy-2-(1-methylpyrazol-3-yl)ethyl]morpholine-4-carboxylate

tert-butyl 3-[1-hydroxy-2-(1-methylpyrazol-3-yl)ethyl]morpholine-4-carboxylate (PubChem CID 103554264) has the molecular formula C15H25N3O4 and a molecular weight of 311.38 g/mol. Its IUPAC name is tert-butyl 3-[1-hydroxy-2-(1-methylpyrazol-3-yl)ethyl]morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[1-hydroxy-2-(1-methylpyrazol-3-yl)ethyl]morpholine-4-carboxylate
PubChem CID103554264
Molecular FormulaC15H25N3O4
Molecular Weight311.38 g/mol
Exact Mass311.18
IUPAC Nametert-butyl 3-[1-hydroxy-2-(1-methylpyrazol-3-yl)ethyl]morpholine-4-carboxylate
SMILESCn1ccc(CC(O)C2COCCN2C(=O)OC(C)(C)C)n1
InChIInChI=1S/C15H25N3O4/c1-15(2,3)22-14(20)18-7-8-21-10-12(18)13(19)9-11-5-6-17(4)16-11/h5-6,12-13,19H,7-10H2,1-4H3
InChIKeyCBGIUXUVYXYDOJ-UHFFFAOYSA-N
XLogP0.96
TPSA76.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1-Butan-2-ylpyrazol-3-yl)-4-(2,2,2-trifluoroethoxy)butan-2-ol
CID 103147415
1-(1-Pentan-3-ylpyrazol-3-yl)-4-(2,2,2-trifluoroethoxy)butan-2-ol
CID 103147435
1-(1-Propan-2-ylpyrazol-3-yl)-4-(2,2,2-trifluoroethoxy)butan-2-ol
CID 103147524
1-(1-Butan-2-ylpyrazol-3-yl)-4-(2,2-difluoroethoxy)butan-2-ol
CID 103147693
4-(2,2-Difluoroethoxy)-1-(1-pentan-3-ylpyrazol-3-yl)butan-2-ol
CID 103147713
1-(1-Cyclohexylpyrazol-3-yl)-4-(2,2-difluoroethoxy)butan-2-ol
CID 103147801
4-(2,2-Difluoroethoxy)-1-(1-propan-2-ylpyrazol-3-yl)butan-2-ol
CID 103147827
prop-2-enyl (2R,4R)-4-hydroxy-2-[(2-methylpyrazol-3-yl)methyl]pyrrolidine-1-carboxylate
CID 67705703
Tert-butyl 3-(4-hydroxypentyl)pyrazole-1-carboxylate
CID 139448290
tert-butyl (3R,4R)-3,4-dihydroxy-4-(1-methylpyrazol-3-yl)piperidine-1-carboxylate
CID 153321396
1-[2-(Oxan-2-yl)pyrazol-3-yl]butan-2-ol
CID 156463925
Methyl 2-(hydroxymethyl)-3-[2-(oxan-2-yl)pyrazol-3-yl]piperidine-1-carboxylate
CID 163392246

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[1-hydroxy-2-(1-methylpyrazol-3-yl)ethyl]morpholine-4-carboxylate?
The IUPAC name of tert-butyl 3-[1-hydroxy-2-(1-methylpyrazol-3-yl)ethyl]morpholine-4-carboxylate (CID 103554264) is tert-butyl 3-[1-hydroxy-2-(1-methylpyrazol-3-yl)ethyl]morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 3-[1-hydroxy-2-(1-methylpyrazol-3-yl)ethyl]morpholine-4-carboxylate?
The canonical SMILES for tert-butyl 3-[1-hydroxy-2-(1-methylpyrazol-3-yl)ethyl]morpholine-4-carboxylate is Cn1ccc(CC(O)C2COCCN2C(=O)OC(C)(C)C)n1.
What is the InChIKey of tert-butyl 3-[1-hydroxy-2-(1-methylpyrazol-3-yl)ethyl]morpholine-4-carboxylate?
The InChIKey is CBGIUXUVYXYDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O4/c1-15(2,3)22-14(20)18-7-8-21-10-12(18)13(19)9-11-5-6-17(4)16-11/h5-6,12-13,19H,7-10H2,1-4H3.
What are the key properties of tert-butyl 3-[1-hydroxy-2-(1-methylpyrazol-3-yl)ethyl]morpholine-4-carboxylate?
tert-butyl 3-[1-hydroxy-2-(1-methylpyrazol-3-yl)ethyl]morpholine-4-carboxylate has a molecular weight of 311.38 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[1-hydroxy-2-(1-methylpyrazol-3-yl)ethyl]morpholine-4-carboxylate is sourced from PubChem (CID 103554264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).