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

C17H22N4O2 — CID 154737436

IUPAC1-(4-methyloxan-4-yl)-3-(5-methyl-1-phenylpyrazol-3-yl)urea
SMILESCc1cc(NC(=O)NC2(C)CCOCC2)nn1-c1ccccc1
InChIInChI=1S/C17H22N4O2/c1-13-12-15(20-21(13)14-6-4-3-5-7-14)18-16(22)19-17(2)8-10-23-11-9-17/h3-7,12H,8-11H2,1-2H3,(H2,18,19,20,22)
InChIKeyYREOFNXYARQIRS-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.87
Rot. Bonds3

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

1-(4-methyloxan-4-yl)-3-(5-methyl-1-phenylpyrazol-3-yl)urea (PubChem CID 154737436) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-(4-methyloxan-4-yl)-3-(5-methyl-1-phenylpyrazol-3-yl)urea.

Molecular Properties

Compound Name1-(4-methyloxan-4-yl)-3-(5-methyl-1-phenylpyrazol-3-yl)urea
PubChem CID154737436
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name1-(4-methyloxan-4-yl)-3-(5-methyl-1-phenylpyrazol-3-yl)urea
SMILESCc1cc(NC(=O)NC2(C)CCOCC2)nn1-c1ccccc1
InChIInChI=1S/C17H22N4O2/c1-13-12-15(20-21(13)14-6-4-3-5-7-14)18-16(22)19-17(2)8-10-23-11-9-17/h3-7,12H,8-11H2,1-2H3,(H2,18,19,20,22)
InChIKeyYREOFNXYARQIRS-UHFFFAOYSA-N
XLogP2.87
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-acetamido-N-(5-methyl-1-phenylpyrazol-3-yl)cyclohexane-1-carboxamide
CID 138998233
1-(5-methyl-1-phenylpyrazol-3-yl)-3-(2-propan-2-yloxyphenyl)urea
CID 154794214
4-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]oxane-4-carboxylic acid
CID 72884900
4-tert-butyl-N-(5-methyl-1-phenylpyrazol-3-yl)benzamide
CID 46107065
3-hydroxy-N-(5-methyl-1-phenylpyrazol-3-yl)-3-phenylbutanamide
CID 110026421
1-(3-fluoro-2-pyridinyl)-N-(5-methyl-1-phenylpyrazol-3-yl)cyclobutane-1-carboxamide
CID 70975195
1-[3-(difluoromethoxy)phenyl]-3-(5-methyl-1-phenylpyrazol-3-yl)urea
CID 167897122
prop-2-ynyl N-(5-methyl-1-phenylpyrazol-3-yl)carbamate
CID 2726214
N-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]acetamide
CID 57278504
4-[[1-(2-chlorophenyl)-5-methylpyrazol-3-yl]carbamoylamino]butanoic acid
CID 122089041
5-methyl-1-phenylpyrazole-3-carboxylic acid
CID 698388
1-[3-(2-methoxyphenyl)phenyl]-3-(4-methyloxan-4-yl)urea
CID 84597411

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyloxan-4-yl)-3-(5-methyl-1-phenylpyrazol-3-yl)urea?
The IUPAC name of 1-(4-methyloxan-4-yl)-3-(5-methyl-1-phenylpyrazol-3-yl)urea (CID 154737436) is 1-(4-methyloxan-4-yl)-3-(5-methyl-1-phenylpyrazol-3-yl)urea.
What is the SMILES notation for 1-(4-methyloxan-4-yl)-3-(5-methyl-1-phenylpyrazol-3-yl)urea?
The canonical SMILES for 1-(4-methyloxan-4-yl)-3-(5-methyl-1-phenylpyrazol-3-yl)urea is Cc1cc(NC(=O)NC2(C)CCOCC2)nn1-c1ccccc1.
What is the InChIKey of 1-(4-methyloxan-4-yl)-3-(5-methyl-1-phenylpyrazol-3-yl)urea?
The InChIKey is YREOFNXYARQIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-13-12-15(20-21(13)14-6-4-3-5-7-14)18-16(22)19-17(2)8-10-23-11-9-17/h3-7,12H,8-11H2,1-2H3,(H2,18,19,20,22).
What are the key properties of 1-(4-methyloxan-4-yl)-3-(5-methyl-1-phenylpyrazol-3-yl)urea?
1-(4-methyloxan-4-yl)-3-(5-methyl-1-phenylpyrazol-3-yl)urea has a molecular weight of 314.39 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyloxan-4-yl)-3-(5-methyl-1-phenylpyrazol-3-yl)urea is sourced from PubChem (CID 154737436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).