1-(4-hydroxyphenyl)-1-methyl-3-(1-methyl-5-phenylpyrazol-3-yl)urea

C18H18N4O2 — CID 108813072

IUPAC1-(4-hydroxyphenyl)-1-methyl-3-(1-methyl-5-phenylpyrazol-3-yl)urea
SMILESCN(C(=O)Nc1cc(-c2ccccc2)n(C)n1)c1ccc(O)cc1
InChIInChI=1S/C18H18N4O2/c1-21(14-8-10-15(23)11-9-14)18(24)19-17-12-16(22(2)20-17)13-6-4-3-5-7-13/h3-12,23H,1-2H3,(H,19,20,24)
InChIKeyJSOUZXBYQUQTNH-UHFFFAOYSA-N
MW322.37 g/mol
LogP3.46
Rot. Bonds3

About 1-(4-hydroxyphenyl)-1-methyl-3-(1-methyl-5-phenylpyrazol-3-yl)urea

1-(4-hydroxyphenyl)-1-methyl-3-(1-methyl-5-phenylpyrazol-3-yl)urea (PubChem CID 108813072) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 1-(4-hydroxyphenyl)-1-methyl-3-(1-methyl-5-phenylpyrazol-3-yl)urea.

Molecular Properties

Compound Name1-(4-hydroxyphenyl)-1-methyl-3-(1-methyl-5-phenylpyrazol-3-yl)urea
PubChem CID108813072
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name1-(4-hydroxyphenyl)-1-methyl-3-(1-methyl-5-phenylpyrazol-3-yl)urea
SMILESCN(C(=O)Nc1cc(-c2ccccc2)n(C)n1)c1ccc(O)cc1
InChIInChI=1S/C18H18N4O2/c1-21(14-8-10-15(23)11-9-14)18(24)19-17-12-16(22(2)20-17)13-6-4-3-5-7-13/h3-12,23H,1-2H3,(H,19,20,24)
InChIKeyJSOUZXBYQUQTNH-UHFFFAOYSA-N
XLogP3.46
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-tert-Butyl-2-methyl-2H-pyrazol-3-yl)-3-(4-phenoxy-phenyl)-urea
CID 17941443
1-(5-tert-Butyl-2-methyl-2H-pyrazol-3-yl)-3-(4-p-tolyloxy-phenyl)-urea
CID 44286077
1-[4-(4-Amino-phenoxy)-phenyl]-3-(5-tert-butyl-2-methyl-2H-pyrazol-3-yl)-urea
CID 44286342
1-(5-tert-Butyl-2-methyl-2H-pyrazol-3-yl)-3-[4-(4-tert-butyl-phenoxy)-phenyl]-urea
CID 44286459
1-[1-Benzyl-3-(2-methylcyclopropyl)pyrazol-5-yl]-3-(4-methoxyphenyl)urea
CID 118715837
1-(2,5-Dimethylpyrazol-3-yl)-3-(4-phenylmethoxyphenyl)urea
CID 2811727
1-(3-Tert-butyl-1-methylpyrazol-5-yl)-3-(4-phenylmethoxyphenyl)urea
CID 2811925
1-(2-hydroxybenzyl)-3-(3-t-butyl-1-p-tolyl-1H-pyrazol-5-yl)urea
CID 59151943
(3S)-N-[1-(4-hydroxyphenyl)-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 89476782
1-[1-Benzyl-3-(2,2-difluorocyclopropyl)pyrazol-5-yl]-3-(4-methoxyphenyl)urea
CID 118715839
1-(1-Methyl-3-phenylpyrazol-5-yl)-3-(4-phenylmethoxyphenyl)urea
CID 2815272
1-(2-Methyl-5-phenylpyrazol-3-yl)-3-[4-(trifluoromethoxy)phenyl]urea
CID 2815273

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxyphenyl)-1-methyl-3-(1-methyl-5-phenylpyrazol-3-yl)urea?
The IUPAC name of 1-(4-hydroxyphenyl)-1-methyl-3-(1-methyl-5-phenylpyrazol-3-yl)urea (CID 108813072) is 1-(4-hydroxyphenyl)-1-methyl-3-(1-methyl-5-phenylpyrazol-3-yl)urea.
What is the SMILES notation for 1-(4-hydroxyphenyl)-1-methyl-3-(1-methyl-5-phenylpyrazol-3-yl)urea?
The canonical SMILES for 1-(4-hydroxyphenyl)-1-methyl-3-(1-methyl-5-phenylpyrazol-3-yl)urea is CN(C(=O)Nc1cc(-c2ccccc2)n(C)n1)c1ccc(O)cc1.
What is the InChIKey of 1-(4-hydroxyphenyl)-1-methyl-3-(1-methyl-5-phenylpyrazol-3-yl)urea?
The InChIKey is JSOUZXBYQUQTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-21(14-8-10-15(23)11-9-14)18(24)19-17-12-16(22(2)20-17)13-6-4-3-5-7-13/h3-12,23H,1-2H3,(H,19,20,24).
What are the key properties of 1-(4-hydroxyphenyl)-1-methyl-3-(1-methyl-5-phenylpyrazol-3-yl)urea?
1-(4-hydroxyphenyl)-1-methyl-3-(1-methyl-5-phenylpyrazol-3-yl)urea has a molecular weight of 322.37 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxyphenyl)-1-methyl-3-(1-methyl-5-phenylpyrazol-3-yl)urea is sourced from PubChem (CID 108813072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).