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

C16H27N3O4 — CID 103554269

IUPACtert-butyl 3-[1-hydroxy-3-(2-methylpyrazol-3-yl)propyl]morpholine-4-carboxylate
SMILESCn1nccc1CCC(O)C1COCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C16H27N3O4/c1-16(2,3)23-15(21)19-9-10-22-11-13(19)14(20)6-5-12-7-8-17-18(12)4/h7-8,13-14,20H,5-6,9-11H2,1-4H3
InChIKeySVLLNXPVGPCZDR-UHFFFAOYSA-N
MW325.41 g/mol
LogP1.35
Rot. Bonds4

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

tert-butyl 3-[1-hydroxy-3-(2-methylpyrazol-3-yl)propyl]morpholine-4-carboxylate (PubChem CID 103554269) has the molecular formula C16H27N3O4 and a molecular weight of 325.41 g/mol. Its IUPAC name is tert-butyl 3-[1-hydroxy-3-(2-methylpyrazol-3-yl)propyl]morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[1-hydroxy-3-(2-methylpyrazol-3-yl)propyl]morpholine-4-carboxylate
PubChem CID103554269
Molecular FormulaC16H27N3O4
Molecular Weight325.41 g/mol
Exact Mass325.20
IUPAC Nametert-butyl 3-[1-hydroxy-3-(2-methylpyrazol-3-yl)propyl]morpholine-4-carboxylate
SMILESCn1nccc1CCC(O)C1COCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C16H27N3O4/c1-16(2,3)23-15(21)19-9-10-22-11-13(19)14(20)6-5-12-7-8-17-18(12)4/h7-8,13-14,20H,5-6,9-11H2,1-4H3
InChIKeySVLLNXPVGPCZDR-UHFFFAOYSA-N
XLogP1.35
TPSA76.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl] 3-(3-tert-butylpyrazol-1-yl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 135251202
methane;[(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl] 3-(3-tert-butylpyrazol-1-yl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 160795738
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 2-ethyl-6-[(2-ethylpyrazol-3-yl)methyl]piperidine-1-carboxylate
CID 141195035
Tert-butyl 3-(3-hydroxypropyl)pyrazole-1-carboxylate
CID 142757661
tert-butyl 4-(hydroxymethyl)-3-(2-propan-2-ylpyrazol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 162462158
Methyl 2-(hydroxymethyl)-3-[2-(oxan-2-yl)pyrazol-3-yl]piperidine-1-carboxylate
CID 163392246
Tert-butyl 4-[2-(oxetan-3-yl)pyrazol-3-yl]piperidine-1-carboxylate
CID 171506433
Tert-butyl 4-(3-propylpyrazol-1-yl)piperidine-1-carboxylate
CID 176921276
tert-butyl (4aR,6S,7S,7aR)-7-hydroxy-2,2-dimethyl-6-(2-methylpyrazol-3-yl)-4a,6,7,7a-tetrahydro-4H-[1,3]dioxino[5,4-b]pyrrole-5-carboxylate
CID 177364802
tert-butyl (2S,5R)-2-(2-hydroxypropan-2-yloxymethyl)-5-(2-methylpyrazol-3-yl)pyrrolidine-1-carboxylate
CID 177364924

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[1-hydroxy-3-(2-methylpyrazol-3-yl)propyl]morpholine-4-carboxylate?
The IUPAC name of tert-butyl 3-[1-hydroxy-3-(2-methylpyrazol-3-yl)propyl]morpholine-4-carboxylate (CID 103554269) is tert-butyl 3-[1-hydroxy-3-(2-methylpyrazol-3-yl)propyl]morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 3-[1-hydroxy-3-(2-methylpyrazol-3-yl)propyl]morpholine-4-carboxylate?
The canonical SMILES for tert-butyl 3-[1-hydroxy-3-(2-methylpyrazol-3-yl)propyl]morpholine-4-carboxylate is Cn1nccc1CCC(O)C1COCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 3-[1-hydroxy-3-(2-methylpyrazol-3-yl)propyl]morpholine-4-carboxylate?
The InChIKey is SVLLNXPVGPCZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O4/c1-16(2,3)23-15(21)19-9-10-22-11-13(19)14(20)6-5-12-7-8-17-18(12)4/h7-8,13-14,20H,5-6,9-11H2,1-4H3.
What are the key properties of tert-butyl 3-[1-hydroxy-3-(2-methylpyrazol-3-yl)propyl]morpholine-4-carboxylate?
tert-butyl 3-[1-hydroxy-3-(2-methylpyrazol-3-yl)propyl]morpholine-4-carboxylate has a molecular weight of 325.41 g/mol, XLogP of 1.35, 4 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-3-(2-methylpyrazol-3-yl)propyl]morpholine-4-carboxylate is sourced from PubChem (CID 103554269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).