tert-butyl 3-[2-[(1-propylpyrazol-4-yl)amino]propyl]morpholine-4-carboxylate

C18H32N4O3 — CID 75458582

IUPACtert-butyl 3-[2-[(1-propylpyrazol-4-yl)amino]propyl]morpholine-4-carboxylate
SMILESCCCn1cc(NC(C)CC2COCCN2C(=O)OC(C)(C)C)cn1
InChIInChI=1S/C18H32N4O3/c1-6-7-21-12-15(11-19-21)20-14(2)10-16-13-24-9-8-22(16)17(23)25-18(3,4)5/h11-12,14,16,20H,6-10,13H2,1-5H3
InChIKeyWHQMQBYDBHVGSM-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.12
Rot. Bonds6

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

tert-butyl 3-[2-[(1-propylpyrazol-4-yl)amino]propyl]morpholine-4-carboxylate (PubChem CID 75458582) has the molecular formula C18H32N4O3 and a molecular weight of 352.48 g/mol. Its IUPAC name is tert-butyl 3-[2-[(1-propylpyrazol-4-yl)amino]propyl]morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[2-[(1-propylpyrazol-4-yl)amino]propyl]morpholine-4-carboxylate
PubChem CID75458582
Molecular FormulaC18H32N4O3
Molecular Weight352.48 g/mol
Exact Mass352.25
IUPAC Nametert-butyl 3-[2-[(1-propylpyrazol-4-yl)amino]propyl]morpholine-4-carboxylate
SMILESCCCn1cc(NC(C)CC2COCCN2C(=O)OC(C)(C)C)cn1
InChIInChI=1S/C18H32N4O3/c1-6-7-21-12-15(11-19-21)20-14(2)10-16-13-24-9-8-22(16)17(23)25-18(3,4)5/h11-12,14,16,20H,6-10,13H2,1-5H3
InChIKeyWHQMQBYDBHVGSM-UHFFFAOYSA-N
XLogP3.12
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-[4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]propan-2-ylamino]propanoic acid
CID 104855281
tert-butyl 3-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]propyl]morpholine-4-carboxylate
CID 107648449
tert-butyl 3-[2-(2,3-dimethylanilino)propyl]morpholine-4-carboxylate
CID 113461855
tert-butyl 3-[2-(hexan-3-ylamino)propyl]morpholine-4-carboxylate
CID 104855288
tert-butyl 3-[2-[(2-hydroxy-2-methylpropyl)amino]propyl]morpholine-4-carboxylate
CID 104855310
tert-butyl 3-[2-[(1-methylcyclopropyl)methylamino]propyl]morpholine-4-carboxylate
CID 104871875
tert-butyl 3-[2-[(3-methyloxetan-3-yl)methylamino]propyl]morpholine-4-carboxylate
CID 104855325
tert-butyl 3-[2-[(3-hydroxy-2,2-dimethylpropyl)amino]propyl]morpholine-4-carboxylate
CID 104855368
tert-butyl 3-[2-[(3-hydroxy-2-methylpropyl)amino]propyl]morpholine-4-carboxylate
CID 104855309
tert-butyl 3-[2-[(3-methylcyclopentyl)amino]propyl]morpholine-4-carboxylate
CID 104937556
tert-butyl 3-[2-(1-hydroxypentan-3-ylamino)propyl]morpholine-4-carboxylate
CID 104864436
tert-butyl 3-[2-(4-methylsulfanylbutylamino)propyl]morpholine-4-carboxylate
CID 104866010

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[2-[(1-propylpyrazol-4-yl)amino]propyl]morpholine-4-carboxylate?
The IUPAC name of tert-butyl 3-[2-[(1-propylpyrazol-4-yl)amino]propyl]morpholine-4-carboxylate (CID 75458582) is tert-butyl 3-[2-[(1-propylpyrazol-4-yl)amino]propyl]morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 3-[2-[(1-propylpyrazol-4-yl)amino]propyl]morpholine-4-carboxylate?
The canonical SMILES for tert-butyl 3-[2-[(1-propylpyrazol-4-yl)amino]propyl]morpholine-4-carboxylate is CCCn1cc(NC(C)CC2COCCN2C(=O)OC(C)(C)C)cn1.
What is the InChIKey of tert-butyl 3-[2-[(1-propylpyrazol-4-yl)amino]propyl]morpholine-4-carboxylate?
The InChIKey is WHQMQBYDBHVGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O3/c1-6-7-21-12-15(11-19-21)20-14(2)10-16-13-24-9-8-22(16)17(23)25-18(3,4)5/h11-12,14,16,20H,6-10,13H2,1-5H3.
What are the key properties of tert-butyl 3-[2-[(1-propylpyrazol-4-yl)amino]propyl]morpholine-4-carboxylate?
tert-butyl 3-[2-[(1-propylpyrazol-4-yl)amino]propyl]morpholine-4-carboxylate has a molecular weight of 352.48 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[2-[(1-propylpyrazol-4-yl)amino]propyl]morpholine-4-carboxylate is sourced from PubChem (CID 75458582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).