1-(4-hydroxy-2-methylbutan-2-yl)-3-(1-phenylpyrazol-4-yl)urea

C15H20N4O2 — CID 111926533

IUPAC1-(4-hydroxy-2-methylbutan-2-yl)-3-(1-phenylpyrazol-4-yl)urea
SMILESCC(C)(CCO)NC(=O)Nc1cnn(-c2ccccc2)c1
InChIInChI=1S/C15H20N4O2/c1-15(2,8-9-20)18-14(21)17-12-10-16-19(11-12)13-6-4-3-5-7-13/h3-7,10-11,20H,8-9H2,1-2H3,(H2,17,18,21)
InChIKeyHXDGHKPDURKQES-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.15
Rot. Bonds5

About 1-(4-hydroxy-2-methylbutan-2-yl)-3-(1-phenylpyrazol-4-yl)urea

1-(4-hydroxy-2-methylbutan-2-yl)-3-(1-phenylpyrazol-4-yl)urea (PubChem CID 111926533) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-(4-hydroxy-2-methylbutan-2-yl)-3-(1-phenylpyrazol-4-yl)urea.

Molecular Properties

Compound Name1-(4-hydroxy-2-methylbutan-2-yl)-3-(1-phenylpyrazol-4-yl)urea
PubChem CID111926533
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name1-(4-hydroxy-2-methylbutan-2-yl)-3-(1-phenylpyrazol-4-yl)urea
SMILESCC(C)(CCO)NC(=O)Nc1cnn(-c2ccccc2)c1
InChIInChI=1S/C15H20N4O2/c1-15(2,8-9-20)18-14(21)17-12-10-16-19(11-12)13-6-4-3-5-7-13/h3-7,10-11,20H,8-9H2,1-2H3,(H2,17,18,21)
InChIKeyHXDGHKPDURKQES-UHFFFAOYSA-N
XLogP2.15
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-[(1-phenylpyrazol-4-yl)amino]propan-1-ol
CID 82538414
1-[1-(2,2-difluoroethyl)pyrazol-4-yl]-3-(4-hydroxy-2-methylbutan-2-yl)urea
CID 111926554
1-(2,2-dimethylpropyl)-1-(3-hydroxypropyl)-3-(1-phenylpyrazol-4-yl)urea
CID 111458969
1-(4-hydroxy-2-methylbutan-2-yl)-3-pyridin-3-ylurea
CID 111519668
(2S)-2-amino-3,3-dimethyl-N-(1-phenylpyrazol-4-yl)butanamide
CID 119753020
1-(4-butylphenyl)-3-(1-phenylpyrazol-4-yl)urea
CID 153390159
1-phenyl-N-(1-phenylpyrazol-4-yl)pyrazole-4-carboxamide
CID 171981866
1-(4-cyanophenyl)-3-(1-phenylpyrazol-4-yl)urea
CID 47081496
N-[2-[(1-phenylpyrazol-4-yl)amino]ethyl]acetamide
CID 82539547
3-methyl-5-oxo-5-[(1-phenylpyrazol-4-yl)amino]pentanoic acid
CID 126840528
1-(4-hydroxy-2-methylbutan-2-yl)-3-(2-methylsulfanylphenyl)urea
CID 111925837
2,2-dimethyl-4-[(1-phenylpyrazol-4-yl)methylamino]butanoic acid
CID 122126840

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-2-methylbutan-2-yl)-3-(1-phenylpyrazol-4-yl)urea?
The IUPAC name of 1-(4-hydroxy-2-methylbutan-2-yl)-3-(1-phenylpyrazol-4-yl)urea (CID 111926533) is 1-(4-hydroxy-2-methylbutan-2-yl)-3-(1-phenylpyrazol-4-yl)urea.
What is the SMILES notation for 1-(4-hydroxy-2-methylbutan-2-yl)-3-(1-phenylpyrazol-4-yl)urea?
The canonical SMILES for 1-(4-hydroxy-2-methylbutan-2-yl)-3-(1-phenylpyrazol-4-yl)urea is CC(C)(CCO)NC(=O)Nc1cnn(-c2ccccc2)c1.
What is the InChIKey of 1-(4-hydroxy-2-methylbutan-2-yl)-3-(1-phenylpyrazol-4-yl)urea?
The InChIKey is HXDGHKPDURKQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-15(2,8-9-20)18-14(21)17-12-10-16-19(11-12)13-6-4-3-5-7-13/h3-7,10-11,20H,8-9H2,1-2H3,(H2,17,18,21).
What are the key properties of 1-(4-hydroxy-2-methylbutan-2-yl)-3-(1-phenylpyrazol-4-yl)urea?
1-(4-hydroxy-2-methylbutan-2-yl)-3-(1-phenylpyrazol-4-yl)urea has a molecular weight of 288.35 g/mol, XLogP of 2.15, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-2-methylbutan-2-yl)-3-(1-phenylpyrazol-4-yl)urea is sourced from PubChem (CID 111926533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).