1-(2,5-dimethylpyrazol-3-yl)-3-[(2R)-2-hydroxy-4-methoxy-2-methylbutyl]urea

C12H22N4O3 — CID 97068353

IUPAC1-(2,5-dimethylpyrazol-3-yl)-3-[(2R)-2-hydroxy-4-methoxy-2-methylbutyl]urea
SMILESCOCC[C@@](C)(O)CNC(=O)Nc1cc(C)nn1C
InChIInChI=1S/C12H22N4O3/c1-9-7-10(16(3)15-9)14-11(17)13-8-12(2,18)5-6-19-4/h7,18H,5-6,8H2,1-4H3,(H2,13,14,17)/t12-/m1/s1
InChIKeyCWZBHMMKRSZPJA-GFCCVEGCSA-N
MW270.33 g/mol
LogP0.64
Rot. Bonds6

About 1-(2,5-dimethylpyrazol-3-yl)-3-[(2R)-2-hydroxy-4-methoxy-2-methylbutyl]urea

1-(2,5-dimethylpyrazol-3-yl)-3-[(2R)-2-hydroxy-4-methoxy-2-methylbutyl]urea (PubChem CID 97068353) has the molecular formula C12H22N4O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-(2,5-dimethylpyrazol-3-yl)-3-[(2R)-2-hydroxy-4-methoxy-2-methylbutyl]urea.

Molecular Properties

Compound Name1-(2,5-dimethylpyrazol-3-yl)-3-[(2R)-2-hydroxy-4-methoxy-2-methylbutyl]urea
PubChem CID97068353
Molecular FormulaC12H22N4O3
Molecular Weight270.33 g/mol
Exact Mass270.17
IUPAC Name1-(2,5-dimethylpyrazol-3-yl)-3-[(2R)-2-hydroxy-4-methoxy-2-methylbutyl]urea
SMILESCOCC[C@@](C)(O)CNC(=O)Nc1cc(C)nn1C
InChIInChI=1S/C12H22N4O3/c1-9-7-10(16(3)15-9)14-11(17)13-8-12(2,18)5-6-19-4/h7,18H,5-6,8H2,1-4H3,(H2,13,14,17)/t12-/m1/s1
InChIKeyCWZBHMMKRSZPJA-GFCCVEGCSA-N
XLogP0.64
TPSA88.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,5-Dimethylpyrazol-3-yl)-3-(2-morpholin-4-ylpropyl)urea
CID 45821212
1-(2,5-Dimethylpyrazol-3-yl)-3-(3-methyl-2-morpholin-4-ylbutyl)urea
CID 45821224
1-(2,5-Dimethylpyrazol-3-yl)-3-(2-hydroxypropyl)urea
CID 47198265
1-(2,5-Dimethylpyrazol-3-yl)-3-(3-ethyl-2-hydroxypentyl)urea
CID 71931727
1-Butyl-3-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]urea
CID 47079358
1-Butyl-3-[2-(2-hydroxyethyl)-4,5-dimethylpyrazol-3-yl]urea
CID 71907571
N-(1-isobutyl-3-methyl-1H-pyrazol-5-yl)-N'-(tetrahydro-2H-pyran-4-yl)urea
CID 72909167
1-[(2S)-1-methoxybutan-2-yl]-3-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]urea
CID 97276342
1-(1,5-dimethylpyrazol-3-yl)-3-[(3S)-3-hydroxy-2,2,4-trimethylpentyl]urea
CID 97605783
N-(1-isopropyl-3-methyl-1H-pyrazol-5-yl)-N'-(tetrahydrofuran-3-yl)urea
CID 118778096
1-(1-butan-2-yl-5-methylpyrazol-3-yl)-3-[(1S,2S)-2-hydroxycyclohexyl]urea
CID 121587589
1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-3-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]urea
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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-3-[(2R)-2-hydroxy-4-methoxy-2-methylbutyl]urea?
The IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-3-[(2R)-2-hydroxy-4-methoxy-2-methylbutyl]urea (CID 97068353) is 1-(2,5-dimethylpyrazol-3-yl)-3-[(2R)-2-hydroxy-4-methoxy-2-methylbutyl]urea.
What is the SMILES notation for 1-(2,5-dimethylpyrazol-3-yl)-3-[(2R)-2-hydroxy-4-methoxy-2-methylbutyl]urea?
The canonical SMILES for 1-(2,5-dimethylpyrazol-3-yl)-3-[(2R)-2-hydroxy-4-methoxy-2-methylbutyl]urea is COCC[C@@](C)(O)CNC(=O)Nc1cc(C)nn1C.
What is the InChIKey of 1-(2,5-dimethylpyrazol-3-yl)-3-[(2R)-2-hydroxy-4-methoxy-2-methylbutyl]urea?
The InChIKey is CWZBHMMKRSZPJA-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H22N4O3/c1-9-7-10(16(3)15-9)14-11(17)13-8-12(2,18)5-6-19-4/h7,18H,5-6,8H2,1-4H3,(H2,13,14,17)/t12-/m1/s1.
What are the key properties of 1-(2,5-dimethylpyrazol-3-yl)-3-[(2R)-2-hydroxy-4-methoxy-2-methylbutyl]urea?
1-(2,5-dimethylpyrazol-3-yl)-3-[(2R)-2-hydroxy-4-methoxy-2-methylbutyl]urea has a molecular weight of 270.33 g/mol, XLogP of 0.64, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylpyrazol-3-yl)-3-[(2R)-2-hydroxy-4-methoxy-2-methylbutyl]urea is sourced from PubChem (CID 97068353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).