1-(3-ethyl-1-methylpyrazol-5-yl)-3-(1-hydroxybutan-2-yl)urea

C11H20N4O2 — CID 111422828

IUPAC1-(3-ethyl-1-methylpyrazol-5-yl)-3-(1-hydroxybutan-2-yl)urea
SMILESCCc1cc(NC(=O)NC(CC)CO)n(C)n1
InChIInChI=1S/C11H20N4O2/c1-4-8-6-10(15(3)14-8)13-11(17)12-9(5-2)7-16/h6,9,16H,4-5,7H2,1-3H3,(H2,12,13,17)
InChIKeyDXVFLNFUZPIRTK-UHFFFAOYSA-N
MW240.31 g/mol
LogP0.87
Rot. Bonds5

About 1-(3-ethyl-1-methylpyrazol-5-yl)-3-(1-hydroxybutan-2-yl)urea

1-(3-ethyl-1-methylpyrazol-5-yl)-3-(1-hydroxybutan-2-yl)urea (PubChem CID 111422828) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 1-(3-ethyl-1-methylpyrazol-5-yl)-3-(1-hydroxybutan-2-yl)urea.

Molecular Properties

Compound Name1-(3-ethyl-1-methylpyrazol-5-yl)-3-(1-hydroxybutan-2-yl)urea
PubChem CID111422828
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name1-(3-ethyl-1-methylpyrazol-5-yl)-3-(1-hydroxybutan-2-yl)urea
SMILESCCc1cc(NC(=O)NC(CC)CO)n(C)n1
InChIInChI=1S/C11H20N4O2/c1-4-8-6-10(15(3)14-8)13-11(17)12-9(5-2)7-16/h6,9,16H,4-5,7H2,1-3H3,(H2,12,13,17)
InChIKeyDXVFLNFUZPIRTK-UHFFFAOYSA-N
XLogP0.87
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-ethyl-1-methylpyrazol-5-yl)-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea
CID 99702012
1-(3-ethyl-1-methylpyrazol-5-yl)-3-[1-(oxan-4-yl)ethyl]urea
CID 138043768
(2R)-2-amino-N-(3-ethyl-1-methylpyrazol-5-yl)propanamide;hydrochloride
CID 130685991
1-(3,5-dihydroxyphenyl)-3-(1-hydroxybutan-2-yl)urea
CID 108895499
1-(1-benzyl-3-tert-butylpyrazol-5-yl)-3-(1-hydroxybutan-2-yl)urea
CID 110891166
1-(3-ethyl-1-methylpyrazol-5-yl)-3-[2-(hydroxymethyl)-1-benzofuran-5-yl]urea
CID 126818242
1-[6-(diethylamino)-3-pyridinyl]-3-[(2R)-1-hydroxybutan-2-yl]urea
CID 94168619
4-[(1-methyl-3-propylpyrazol-5-yl)carbamoylamino]-5-phenylpentanoic acid
CID 122088653
1-[(5-bromopyrazin-2-yl)methyl]-3-(3-ethyl-1-methylpyrazol-5-yl)urea
CID 126820728
1-(3,4-dimethylphenyl)-3-(1-hydroxybutan-2-yl)urea
CID 108894071
1-(2-cyclopropyl-2-hydroxyethyl)-3-(3-ethyl-1-methylpyrazol-5-yl)-1-methylurea
CID 111859269
1-cyclopropyl-3-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-hydroxyethyl)urea
CID 111422853

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1-methylpyrazol-5-yl)-3-(1-hydroxybutan-2-yl)urea?
The IUPAC name of 1-(3-ethyl-1-methylpyrazol-5-yl)-3-(1-hydroxybutan-2-yl)urea (CID 111422828) is 1-(3-ethyl-1-methylpyrazol-5-yl)-3-(1-hydroxybutan-2-yl)urea.
What is the SMILES notation for 1-(3-ethyl-1-methylpyrazol-5-yl)-3-(1-hydroxybutan-2-yl)urea?
The canonical SMILES for 1-(3-ethyl-1-methylpyrazol-5-yl)-3-(1-hydroxybutan-2-yl)urea is CCc1cc(NC(=O)NC(CC)CO)n(C)n1.
What is the InChIKey of 1-(3-ethyl-1-methylpyrazol-5-yl)-3-(1-hydroxybutan-2-yl)urea?
The InChIKey is DXVFLNFUZPIRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-4-8-6-10(15(3)14-8)13-11(17)12-9(5-2)7-16/h6,9,16H,4-5,7H2,1-3H3,(H2,12,13,17).
What are the key properties of 1-(3-ethyl-1-methylpyrazol-5-yl)-3-(1-hydroxybutan-2-yl)urea?
1-(3-ethyl-1-methylpyrazol-5-yl)-3-(1-hydroxybutan-2-yl)urea has a molecular weight of 240.31 g/mol, XLogP of 0.87, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1-methylpyrazol-5-yl)-3-(1-hydroxybutan-2-yl)urea is sourced from PubChem (CID 111422828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).