1-(2-benzyl-5-methylpyrazol-3-yl)-3-(4-methoxyphenyl)urea

C19H20N4O2 — CID 39891220

IUPAC1-(2-benzyl-5-methylpyrazol-3-yl)-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2cc(C)nn2Cc2ccccc2)cc1
InChIInChI=1S/C19H20N4O2/c1-14-12-18(23(22-14)13-15-6-4-3-5-7-15)21-19(24)20-16-8-10-17(25-2)11-9-16/h3-12H,13H2,1-2H3,(H2,20,21,24)
InChIKeyCLFGDQRHAFXCCC-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.89
Rot. Bonds5

About 1-(2-benzyl-5-methylpyrazol-3-yl)-3-(4-methoxyphenyl)urea

1-(2-benzyl-5-methylpyrazol-3-yl)-3-(4-methoxyphenyl)urea (PubChem CID 39891220) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 1-(2-benzyl-5-methylpyrazol-3-yl)-3-(4-methoxyphenyl)urea.

Molecular Properties

Compound Name1-(2-benzyl-5-methylpyrazol-3-yl)-3-(4-methoxyphenyl)urea
PubChem CID39891220
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name1-(2-benzyl-5-methylpyrazol-3-yl)-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2cc(C)nn2Cc2ccccc2)cc1
InChIInChI=1S/C19H20N4O2/c1-14-12-18(23(22-14)13-15-6-4-3-5-7-15)21-19(24)20-16-8-10-17(25-2)11-9-16/h3-12H,13H2,1-2H3,(H2,20,21,24)
InChIKeyCLFGDQRHAFXCCC-UHFFFAOYSA-N
XLogP3.89
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxyphenyl)-3-(5-methyl-2-propylpyrazol-3-yl)urea
CID 39853401
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CID 5300709
N-(2-benzyl-5-methylpyrazol-3-yl)-2-fluoro-4-methoxybenzamide
CID 86922182
1-(2,5-dimethylpyrazol-3-yl)-3-(4-phenylmethoxyphenyl)urea
CID 2811727
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CID 112822182
1-(1-benzylpyrazol-3-yl)-3-(4-methoxyphenyl)urea
CID 17266369
1-benzyl-N-(4-methoxyphenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 9042189
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-methoxyphenyl)benzamide
CID 48980527
1-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-3-phenylurea
CID 110483127
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CID 111432479
N-(2-benzyl-5-methylpyrazol-3-yl)-4-(methylamino)butanamide;hydrochloride
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CID 52762664

Frequently Asked Questions

What is the IUPAC name of 1-(2-benzyl-5-methylpyrazol-3-yl)-3-(4-methoxyphenyl)urea?
The IUPAC name of 1-(2-benzyl-5-methylpyrazol-3-yl)-3-(4-methoxyphenyl)urea (CID 39891220) is 1-(2-benzyl-5-methylpyrazol-3-yl)-3-(4-methoxyphenyl)urea.
What is the SMILES notation for 1-(2-benzyl-5-methylpyrazol-3-yl)-3-(4-methoxyphenyl)urea?
The canonical SMILES for 1-(2-benzyl-5-methylpyrazol-3-yl)-3-(4-methoxyphenyl)urea is COc1ccc(NC(=O)Nc2cc(C)nn2Cc2ccccc2)cc1.
What is the InChIKey of 1-(2-benzyl-5-methylpyrazol-3-yl)-3-(4-methoxyphenyl)urea?
The InChIKey is CLFGDQRHAFXCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-14-12-18(23(22-14)13-15-6-4-3-5-7-15)21-19(24)20-16-8-10-17(25-2)11-9-16/h3-12H,13H2,1-2H3,(H2,20,21,24).
What are the key properties of 1-(2-benzyl-5-methylpyrazol-3-yl)-3-(4-methoxyphenyl)urea?
1-(2-benzyl-5-methylpyrazol-3-yl)-3-(4-methoxyphenyl)urea has a molecular weight of 336.40 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzyl-5-methylpyrazol-3-yl)-3-(4-methoxyphenyl)urea is sourced from PubChem (CID 39891220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).