1-(5-methyl-1-phenylpyrazol-3-yl)-3-(2-propan-2-yloxyphenyl)urea

C20H22N4O2 — CID 154794214

IUPAC1-(5-methyl-1-phenylpyrazol-3-yl)-3-(2-propan-2-yloxyphenyl)urea
SMILESCc1cc(NC(=O)Nc2ccccc2OC(C)C)nn1-c1ccccc1
InChIInChI=1S/C20H22N4O2/c1-14(2)26-18-12-8-7-11-17(18)21-20(25)22-19-13-15(3)24(23-19)16-9-5-4-6-10-16/h4-14H,1-3H3,(H2,21,22,23,25)
InChIKeyOZZXIJPIYTZRAV-UHFFFAOYSA-N
MW350.42 g/mol
LogP4.61
Rot. Bonds5

About 1-(5-methyl-1-phenylpyrazol-3-yl)-3-(2-propan-2-yloxyphenyl)urea

1-(5-methyl-1-phenylpyrazol-3-yl)-3-(2-propan-2-yloxyphenyl)urea (PubChem CID 154794214) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 1-(5-methyl-1-phenylpyrazol-3-yl)-3-(2-propan-2-yloxyphenyl)urea.

Molecular Properties

Compound Name1-(5-methyl-1-phenylpyrazol-3-yl)-3-(2-propan-2-yloxyphenyl)urea
PubChem CID154794214
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name1-(5-methyl-1-phenylpyrazol-3-yl)-3-(2-propan-2-yloxyphenyl)urea
SMILESCc1cc(NC(=O)Nc2ccccc2OC(C)C)nn1-c1ccccc1
InChIInChI=1S/C20H22N4O2/c1-14(2)26-18-12-8-7-11-17(18)21-20(25)22-19-13-15(3)24(23-19)16-9-5-4-6-10-16/h4-14H,1-3H3,(H2,21,22,23,25)
InChIKeyOZZXIJPIYTZRAV-UHFFFAOYSA-N
XLogP4.61
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(difluoromethoxy)phenyl]-3-(5-methyl-1-phenylpyrazol-3-yl)urea
CID 167897122
1-(2-bromo-4-methylphenyl)-3-(2-propan-2-yloxyphenyl)urea
CID 108992103
1-(4-methyloxan-4-yl)-3-(5-methyl-1-phenylpyrazol-3-yl)urea
CID 154737436
1-amino-3-(2-propan-2-yloxyphenyl)urea
CID 82283845
1-(2-propan-2-yloxyphenyl)-3-pyrazin-2-ylurea
CID 110492341
N,N'-bis(2-propan-2-yloxyphenyl)oxamide
CID 108987298
4-[(2-propan-2-yloxyphenyl)carbamoylamino]butanoic acid
CID 28511787
prop-2-ynyl N-(5-methyl-1-phenylpyrazol-3-yl)carbamate
CID 2726214
4-methoxy-1-phenyl-N-(2-propan-2-yloxyphenyl)pyrazole-3-carboxamide
CID 39498587
2-(butan-2-ylamino)-N-(2-propan-2-yloxyphenyl)acetamide
CID 54829029
3-hydroxy-N-(5-methyl-1-phenylpyrazol-3-yl)-3-phenylbutanamide
CID 110026421
2-(naphthalen-1-ylamino)-N-(2-propan-2-yloxyphenyl)acetamide
CID 54809130

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1-phenylpyrazol-3-yl)-3-(2-propan-2-yloxyphenyl)urea?
The IUPAC name of 1-(5-methyl-1-phenylpyrazol-3-yl)-3-(2-propan-2-yloxyphenyl)urea (CID 154794214) is 1-(5-methyl-1-phenylpyrazol-3-yl)-3-(2-propan-2-yloxyphenyl)urea.
What is the SMILES notation for 1-(5-methyl-1-phenylpyrazol-3-yl)-3-(2-propan-2-yloxyphenyl)urea?
The canonical SMILES for 1-(5-methyl-1-phenylpyrazol-3-yl)-3-(2-propan-2-yloxyphenyl)urea is Cc1cc(NC(=O)Nc2ccccc2OC(C)C)nn1-c1ccccc1.
What is the InChIKey of 1-(5-methyl-1-phenylpyrazol-3-yl)-3-(2-propan-2-yloxyphenyl)urea?
The InChIKey is OZZXIJPIYTZRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-14(2)26-18-12-8-7-11-17(18)21-20(25)22-19-13-15(3)24(23-19)16-9-5-4-6-10-16/h4-14H,1-3H3,(H2,21,22,23,25).
What are the key properties of 1-(5-methyl-1-phenylpyrazol-3-yl)-3-(2-propan-2-yloxyphenyl)urea?
1-(5-methyl-1-phenylpyrazol-3-yl)-3-(2-propan-2-yloxyphenyl)urea has a molecular weight of 350.42 g/mol, XLogP of 4.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1-phenylpyrazol-3-yl)-3-(2-propan-2-yloxyphenyl)urea is sourced from PubChem (CID 154794214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).