1-[(2S)-2-morpholin-4-ylpropyl]-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]urea

C14H25N5O2 — CID 97087344

IUPAC1-[(2S)-2-morpholin-4-ylpropyl]-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]urea
SMILESC[C@@H](Cn1cccn1)NC(=O)NC[C@H](C)N1CCOCC1
InChIInChI=1S/C14H25N5O2/c1-12(11-19-5-3-4-16-19)17-14(20)15-10-13(2)18-6-8-21-9-7-18/h3-5,12-13H,6-11H2,1-2H3,(H2,15,17,20)/t12-,13-/m0/s1
InChIKeyMKJKICZQKHKMIK-STQMWFEESA-N
MW295.39 g/mol
LogP0.29
Rot. Bonds6

About 1-[(2S)-2-morpholin-4-ylpropyl]-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]urea

1-[(2S)-2-morpholin-4-ylpropyl]-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]urea (PubChem CID 97087344) has the molecular formula C14H25N5O2 and a molecular weight of 295.39 g/mol. Its IUPAC name is 1-[(2S)-2-morpholin-4-ylpropyl]-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]urea.

Molecular Properties

Compound Name1-[(2S)-2-morpholin-4-ylpropyl]-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]urea
PubChem CID97087344
Molecular FormulaC14H25N5O2
Molecular Weight295.39 g/mol
Exact Mass295.20
IUPAC Name1-[(2S)-2-morpholin-4-ylpropyl]-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]urea
SMILESC[C@@H](Cn1cccn1)NC(=O)NC[C@H](C)N1CCOCC1
InChIInChI=1S/C14H25N5O2/c1-12(11-19-5-3-4-16-19)17-14(20)15-10-13(2)18-6-8-21-9-7-18/h3-5,12-13H,6-11H2,1-2H3,(H2,15,17,20)/t12-,13-/m0/s1
InChIKeyMKJKICZQKHKMIK-STQMWFEESA-N
XLogP0.29
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-[(2S)-2-morpholin-4-ylpropyl]urea
CID 97087354
1-(2-methyl-2-morpholin-4-ylpropyl)-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea
CID 95134950
1-[(2R)-2-(2,3-dihydroindol-1-yl)propyl]-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]urea
CID 97087349
1-ethyl-2-(2-methyl-3-pyrazol-1-ylpropyl)-3-(2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111022014
1-[(2R)-1-pyrazol-1-ylpropan-2-yl]-3-(2-pyrrolidin-1-ylethyl)urea
CID 94180964
(2R)-1-morpholin-4-yl-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]propan-1-one
CID 94159983
(3R)-3-methyl-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]morpholine-4-carboxamide
CID 94031066
1-[(2R)-2-morpholin-4-ylpropyl]-3-[(1S)-1-thiophen-2-ylethyl]urea
CID 94028317
2-morpholin-4-yl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]pyridine-3-carboxamide
CID 94028646
1-(2-hydroxy-1-phenylethyl)-3-(2-morpholin-4-ylpropyl)urea
CID 87003592
1-[(1-ethylpyrrolidin-3-yl)methyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea
CID 71893143
1-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea
CID 98798236

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-morpholin-4-ylpropyl]-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]urea?
The IUPAC name of 1-[(2S)-2-morpholin-4-ylpropyl]-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]urea (CID 97087344) is 1-[(2S)-2-morpholin-4-ylpropyl]-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]urea.
What is the SMILES notation for 1-[(2S)-2-morpholin-4-ylpropyl]-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]urea?
The canonical SMILES for 1-[(2S)-2-morpholin-4-ylpropyl]-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]urea is C[C@@H](Cn1cccn1)NC(=O)NC[C@H](C)N1CCOCC1.
What is the InChIKey of 1-[(2S)-2-morpholin-4-ylpropyl]-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]urea?
The InChIKey is MKJKICZQKHKMIK-STQMWFEESA-N. The full InChI is InChI=1S/C14H25N5O2/c1-12(11-19-5-3-4-16-19)17-14(20)15-10-13(2)18-6-8-21-9-7-18/h3-5,12-13H,6-11H2,1-2H3,(H2,15,17,20)/t12-,13-/m0/s1.
What are the key properties of 1-[(2S)-2-morpholin-4-ylpropyl]-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]urea?
1-[(2S)-2-morpholin-4-ylpropyl]-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]urea has a molecular weight of 295.39 g/mol, XLogP of 0.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-morpholin-4-ylpropyl]-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]urea is sourced from PubChem (CID 97087344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).