1-(2,5-dimethylphenyl)-3-(5-phenyl-1H-pyrazol-3-yl)urea

C18H18N4O — CID 35591898

IUPAC1-(2,5-dimethylphenyl)-3-(5-phenyl-1H-pyrazol-3-yl)urea
SMILESCc1ccc(C)c(NC(=O)Nc2cc(-c3ccccc3)[nH]n2)c1
InChIInChI=1S/C18H18N4O/c1-12-8-9-13(2)15(10-12)19-18(23)20-17-11-16(21-22-17)14-6-4-3-5-7-14/h3-11H,1-2H3,(H3,19,20,21,22,23)
InChIKeyHKMPWZOPVIQCCZ-UHFFFAOYSA-N
MW306.37 g/mol
LogP4.34
Rot. Bonds3

About 1-(2,5-dimethylphenyl)-3-(5-phenyl-1H-pyrazol-3-yl)urea

1-(2,5-dimethylphenyl)-3-(5-phenyl-1H-pyrazol-3-yl)urea (PubChem CID 35591898) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-3-(5-phenyl-1H-pyrazol-3-yl)urea.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-3-(5-phenyl-1H-pyrazol-3-yl)urea
PubChem CID35591898
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name1-(2,5-dimethylphenyl)-3-(5-phenyl-1H-pyrazol-3-yl)urea
SMILESCc1ccc(C)c(NC(=O)Nc2cc(-c3ccccc3)[nH]n2)c1
InChIInChI=1S/C18H18N4O/c1-12-8-9-13(2)15(10-12)19-18(23)20-17-11-16(21-22-17)14-6-4-3-5-7-14/h3-11H,1-2H3,(H3,19,20,21,22,23)
InChIKeyHKMPWZOPVIQCCZ-UHFFFAOYSA-N
XLogP4.34
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 54.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 22577917
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CID 86818398
N-(5-phenyl-1H-pyrazol-3-yl)butanamide
CID 110868179
1-(6-bromo-2-pyridinyl)-3-(2,5-dimethylphenyl)urea
CID 168974031
N-(2,5-dimethylphenyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
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1-(2,5-dimethylphenyl)-3-(2-ethylphenyl)urea
CID 17270131
1-(2,5-dimethylphenyl)-3-quinolin-8-ylurea
CID 48742637
1-(5-methyl-1H-pyrazol-3-yl)-3-(2-phenylpyrimidin-5-yl)urea
CID 99835736
1-(2,5-dimethylphenyl)-3-[2-(1H-indol-2-yl)phenyl]urea
CID 46384315
(2S)-N-(2,5-dimethylphenyl)-2-(6-phenylpyrimidin-4-yl)sulfanylpropanamide
CID 42353248
1-(2,4-dimethylphenyl)-3-(6-oxo-1H-pyridazin-3-yl)urea
CID 108887302
N-(2,5-dimethylphenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 959558

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-3-(5-phenyl-1H-pyrazol-3-yl)urea?
The IUPAC name of 1-(2,5-dimethylphenyl)-3-(5-phenyl-1H-pyrazol-3-yl)urea (CID 35591898) is 1-(2,5-dimethylphenyl)-3-(5-phenyl-1H-pyrazol-3-yl)urea.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-3-(5-phenyl-1H-pyrazol-3-yl)urea?
The canonical SMILES for 1-(2,5-dimethylphenyl)-3-(5-phenyl-1H-pyrazol-3-yl)urea is Cc1ccc(C)c(NC(=O)Nc2cc(-c3ccccc3)[nH]n2)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-3-(5-phenyl-1H-pyrazol-3-yl)urea?
The InChIKey is HKMPWZOPVIQCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-12-8-9-13(2)15(10-12)19-18(23)20-17-11-16(21-22-17)14-6-4-3-5-7-14/h3-11H,1-2H3,(H3,19,20,21,22,23).
What are the key properties of 1-(2,5-dimethylphenyl)-3-(5-phenyl-1H-pyrazol-3-yl)urea?
1-(2,5-dimethylphenyl)-3-(5-phenyl-1H-pyrazol-3-yl)urea has a molecular weight of 306.37 g/mol, XLogP of 4.34, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-3-(5-phenyl-1H-pyrazol-3-yl)urea is sourced from PubChem (CID 35591898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).