1-(2-methoxyethyl)-1-methyl-3-[(2R)-4-pyrazol-1-ylbutan-2-yl]urea

C12H22N4O2 — CID 126453238

IUPAC1-(2-methoxyethyl)-1-methyl-3-[(2R)-4-pyrazol-1-ylbutan-2-yl]urea
SMILESCOCCN(C)C(=O)N[C@H](C)CCn1cccn1
InChIInChI=1S/C12H22N4O2/c1-11(5-8-16-7-4-6-13-16)14-12(17)15(2)9-10-18-3/h4,6-7,11H,5,8-10H2,1-3H3,(H,14,17)/t11-/m1/s1
InChIKeyVYKXKJHRZSUQJK-LLVKDONJSA-N
MW254.33 g/mol
LogP0.95
Rot. Bonds7

About 1-(2-methoxyethyl)-1-methyl-3-[(2R)-4-pyrazol-1-ylbutan-2-yl]urea

1-(2-methoxyethyl)-1-methyl-3-[(2R)-4-pyrazol-1-ylbutan-2-yl]urea (PubChem CID 126453238) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-1-methyl-3-[(2R)-4-pyrazol-1-ylbutan-2-yl]urea.

Molecular Properties

Compound Name1-(2-methoxyethyl)-1-methyl-3-[(2R)-4-pyrazol-1-ylbutan-2-yl]urea
PubChem CID126453238
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name1-(2-methoxyethyl)-1-methyl-3-[(2R)-4-pyrazol-1-ylbutan-2-yl]urea
SMILESCOCCN(C)C(=O)N[C@H](C)CCn1cccn1
InChIInChI=1S/C12H22N4O2/c1-11(5-8-16-7-4-6-13-16)14-12(17)15(2)9-10-18-3/h4,6-7,11H,5,8-10H2,1-3H3,(H,14,17)/t11-/m1/s1
InChIKeyVYKXKJHRZSUQJK-LLVKDONJSA-N
XLogP0.95
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyethyl)-N-methyl-2-pyrazol-1-ylacetamide
CID 91211379
2-[2-methoxyethyl(1-pyrazol-1-ylpropan-2-ylcarbamoyl)amino]acetic acid
CID 79272272
(2S)-1-methoxy-4-pyrazol-1-ylbutan-2-ol
CID 134462752
(2R)-N-methyl-2-(4-pyrazol-1-ylbutan-2-ylamino)propanamide
CID 103952287
N-methyl-2-(4-pyrazol-1-ylbutan-2-ylamino)acetamide
CID 115977436
methyl 2-(propan-2-ylamino)-4-pyrazol-1-ylbutanoate
CID 63040313
2-[methyl-(1-methylpiperidin-4-yl)amino]-N-(4-pyrazol-1-ylbutan-2-yl)acetamide
CID 91768318
(2S)-2-(4-pyrazol-1-ylbutan-2-ylamino)propan-1-ol
CID 103952125
1,1-diethyl-3-(1-pyrazol-1-ylpropan-2-yl)urea
CID 115583841
N-(2-hydroxy-3-methoxypropyl)-N-methyl-3-pyrazol-1-ylpropanamide
CID 54993303
(2R)-2-[[2-methoxyethyl(methyl)carbamoyl]amino]-3-methylbutanoic acid
CID 79010163
(2R)-1-(4-pyrazol-1-ylbutan-2-ylamino)propan-2-ol
CID 103952260

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-1-methyl-3-[(2R)-4-pyrazol-1-ylbutan-2-yl]urea?
The IUPAC name of 1-(2-methoxyethyl)-1-methyl-3-[(2R)-4-pyrazol-1-ylbutan-2-yl]urea (CID 126453238) is 1-(2-methoxyethyl)-1-methyl-3-[(2R)-4-pyrazol-1-ylbutan-2-yl]urea.
What is the SMILES notation for 1-(2-methoxyethyl)-1-methyl-3-[(2R)-4-pyrazol-1-ylbutan-2-yl]urea?
The canonical SMILES for 1-(2-methoxyethyl)-1-methyl-3-[(2R)-4-pyrazol-1-ylbutan-2-yl]urea is COCCN(C)C(=O)N[C@H](C)CCn1cccn1.
What is the InChIKey of 1-(2-methoxyethyl)-1-methyl-3-[(2R)-4-pyrazol-1-ylbutan-2-yl]urea?
The InChIKey is VYKXKJHRZSUQJK-LLVKDONJSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-11(5-8-16-7-4-6-13-16)14-12(17)15(2)9-10-18-3/h4,6-7,11H,5,8-10H2,1-3H3,(H,14,17)/t11-/m1/s1.
What are the key properties of 1-(2-methoxyethyl)-1-methyl-3-[(2R)-4-pyrazol-1-ylbutan-2-yl]urea?
1-(2-methoxyethyl)-1-methyl-3-[(2R)-4-pyrazol-1-ylbutan-2-yl]urea has a molecular weight of 254.33 g/mol, XLogP of 0.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-1-methyl-3-[(2R)-4-pyrazol-1-ylbutan-2-yl]urea is sourced from PubChem (CID 126453238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).