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

C15H27N5O2 — CID 95134950

IUPAC1-(2-methyl-2-morpholin-4-ylpropyl)-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea
SMILESC[C@H](Cn1cccn1)NC(=O)NCC(C)(C)N1CCOCC1
InChIInChI=1S/C15H27N5O2/c1-13(11-20-6-4-5-17-20)18-14(21)16-12-15(2,3)19-7-9-22-10-8-19/h4-6,13H,7-12H2,1-3H3,(H2,16,18,21)/t13-/m1/s1
InChIKeySQPJBRKZCUWNDS-CYBMUJFWSA-N
MW309.41 g/mol
LogP0.68
Rot. Bonds6

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

1-(2-methyl-2-morpholin-4-ylpropyl)-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea (PubChem CID 95134950) has the molecular formula C15H27N5O2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 1-(2-methyl-2-morpholin-4-ylpropyl)-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea.

Molecular Properties

Compound Name1-(2-methyl-2-morpholin-4-ylpropyl)-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea
PubChem CID95134950
Molecular FormulaC15H27N5O2
Molecular Weight309.41 g/mol
Exact Mass309.22
IUPAC Name1-(2-methyl-2-morpholin-4-ylpropyl)-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea
SMILESC[C@H](Cn1cccn1)NC(=O)NCC(C)(C)N1CCOCC1
InChIInChI=1S/C15H27N5O2/c1-13(11-20-6-4-5-17-20)18-14(21)16-12-15(2,3)19-7-9-22-10-8-19/h4-6,13H,7-12H2,1-3H3,(H2,16,18,21)/t13-/m1/s1
InChIKeySQPJBRKZCUWNDS-CYBMUJFWSA-N
XLogP0.68
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2S)-2-morpholin-4-ylpropyl]-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]urea
CID 97087344
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
2-morpholin-4-yl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]pyridine-3-carboxamide
CID 94028646
(3R)-3-methyl-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]morpholine-4-carboxamide
CID 94031066
1-[(1-methylimidazol-2-yl)-phenylmethyl]-3-(2-methyl-2-morpholin-4-ylpropyl)urea
CID 55597297
1-[1-(3-chlorophenyl)ethyl]-3-(2-methyl-2-morpholin-4-ylpropyl)urea
CID 51274319
1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-(2-methyl-3-pyrazol-1-ylpropyl)guanidine
CID 111313922
1-(3-hydroxy-3-phenylbutyl)-3-(1-pyrazol-1-ylpropan-2-yl)urea
CID 138044191
1-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-3-(2-methyl-2-morpholin-4-ylpropyl)urea
CID 94039006
1-(3-hydroxy-2-methylpropyl)-3-(2-methyl-2-morpholin-4-ylpropyl)urea
CID 86830885
1-[(1-ethylpyrrolidin-3-yl)methyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea
CID 71893143

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-2-morpholin-4-ylpropyl)-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea?
The IUPAC name of 1-(2-methyl-2-morpholin-4-ylpropyl)-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea (CID 95134950) is 1-(2-methyl-2-morpholin-4-ylpropyl)-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea.
What is the SMILES notation for 1-(2-methyl-2-morpholin-4-ylpropyl)-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea?
The canonical SMILES for 1-(2-methyl-2-morpholin-4-ylpropyl)-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea is C[C@H](Cn1cccn1)NC(=O)NCC(C)(C)N1CCOCC1.
What is the InChIKey of 1-(2-methyl-2-morpholin-4-ylpropyl)-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea?
The InChIKey is SQPJBRKZCUWNDS-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H27N5O2/c1-13(11-20-6-4-5-17-20)18-14(21)16-12-15(2,3)19-7-9-22-10-8-19/h4-6,13H,7-12H2,1-3H3,(H2,16,18,21)/t13-/m1/s1.
What are the key properties of 1-(2-methyl-2-morpholin-4-ylpropyl)-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea?
1-(2-methyl-2-morpholin-4-ylpropyl)-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea has a molecular weight of 309.41 g/mol, XLogP of 0.68, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-2-morpholin-4-ylpropyl)-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea is sourced from PubChem (CID 95134950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).