1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(2-methoxyphenyl)urea

C16H22N4O2 — CID 2811926

IUPAC1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)Nc1cc(C(C)(C)C)nn1C
InChIInChI=1S/C16H22N4O2/c1-16(2,3)13-10-14(20(4)19-13)18-15(21)17-11-8-6-7-9-12(11)22-5/h6-10H,1-5H3,(H2,17,18,21)
InChIKeyPUIJCAAXZKXCNN-UHFFFAOYSA-N
MW302.38 g/mol
LogP3.37
Rot. Bonds3

About 1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(2-methoxyphenyl)urea

1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(2-methoxyphenyl)urea (PubChem CID 2811926) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(2-methoxyphenyl)urea.

Molecular Properties

Compound Name1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(2-methoxyphenyl)urea
PubChem CID2811926
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)Nc1cc(C(C)(C)C)nn1C
InChIInChI=1S/C16H22N4O2/c1-16(2,3)13-10-14(20(4)19-13)18-15(21)17-11-8-6-7-9-12(11)22-5/h6-10H,1-5H3,(H2,17,18,21)
InChIKeyPUIJCAAXZKXCNN-UHFFFAOYSA-N
XLogP3.37
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide
CID 6489269
1-(2-methoxyphenyl)-3-(2-methoxypyrimidin-5-yl)urea
CID 71799842
N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(2-chlorophenyl)acetamide
CID 60594734
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-methoxybenzamide
CID 42730468
1-(2-tert-butylphenyl)-3-(2-methoxy-5-methylphenyl)urea
CID 108991730
2-[benzyl-[(2-methoxyphenyl)carbamoyl]amino]-N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]acetamide
CID 1056689
N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-2-[ethyl-[(2-methoxyphenyl)carbamoyl]amino]acetamide
CID 1052783
N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[(2-ethylphenyl)carbamoyl-(2-methoxyethyl)amino]acetamide
CID 42740698
1-(2-amino-5-methylphenyl)-3-(2-methoxyphenyl)urea
CID 108866574
1-(2-methoxyphenyl)-3-(5-methylpyridin-1-ium-2-yl)urea
CID 5078167
N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(3-fluoro-4-methoxyphenyl)sulfonyl-2-methylpropanamide
CID 24856071
1-[4-(benzimidazol-1-yl)phenyl]-3-(3-tert-butyl-1-methylpyrazol-5-yl)urea
CID 130424613

Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(2-methoxyphenyl)urea?
The IUPAC name of 1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(2-methoxyphenyl)urea (CID 2811926) is 1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(2-methoxyphenyl)urea.
What is the SMILES notation for 1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(2-methoxyphenyl)urea?
The canonical SMILES for 1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(2-methoxyphenyl)urea is COc1ccccc1NC(=O)Nc1cc(C(C)(C)C)nn1C.
What is the InChIKey of 1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(2-methoxyphenyl)urea?
The InChIKey is PUIJCAAXZKXCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-16(2,3)13-10-14(20(4)19-13)18-15(21)17-11-8-6-7-9-12(11)22-5/h6-10H,1-5H3,(H2,17,18,21).
What are the key properties of 1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(2-methoxyphenyl)urea?
1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(2-methoxyphenyl)urea has a molecular weight of 302.38 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(2-methoxyphenyl)urea is sourced from PubChem (CID 2811926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).