1-(3-methoxy-4-methyl-1-phenylpyrazol-5-yl)-3-methylurea

C13H16N4O2 — CID 123778473

IUPAC1-(3-methoxy-4-methyl-1-phenylpyrazol-5-yl)-3-methylurea
SMILESCNC(=O)Nc1c(C)c(OC)nn1-c1ccccc1
InChIInChI=1S/C13H16N4O2/c1-9-11(15-13(18)14-2)17(16-12(9)19-3)10-7-5-4-6-8-10/h4-8H,1-3H3,(H2,14,15,18)
InChIKeyYWYPMMHMBOHWJW-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.94
Rot. Bonds3

About 1-(3-methoxy-4-methyl-1-phenylpyrazol-5-yl)-3-methylurea

1-(3-methoxy-4-methyl-1-phenylpyrazol-5-yl)-3-methylurea (PubChem CID 123778473) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 1-(3-methoxy-4-methyl-1-phenylpyrazol-5-yl)-3-methylurea.

Molecular Properties

Compound Name1-(3-methoxy-4-methyl-1-phenylpyrazol-5-yl)-3-methylurea
PubChem CID123778473
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name1-(3-methoxy-4-methyl-1-phenylpyrazol-5-yl)-3-methylurea
SMILESCNC(=O)Nc1c(C)c(OC)nn1-c1ccccc1
InChIInChI=1S/C13H16N4O2/c1-9-11(15-13(18)14-2)17(16-12(9)19-3)10-7-5-4-6-8-10/h4-8H,1-3H3,(H2,14,15,18)
InChIKeyYWYPMMHMBOHWJW-UHFFFAOYSA-N
XLogP1.94
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

phenyl N-(3-methoxy-4-methyl-1-phenylpyrazol-5-yl)carbamate
CID 90168580
1-[3-[(2S)-2-hydroxy-3-methoxypropoxy]-4-methyl-1-phenylpyrazol-5-yl]-3-methylurea
CID 126548143
1-[(3R)-3-hydroxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]-3-(3-methoxy-4-methyl-1-phenylpyrazol-5-yl)urea
CID 122657977
[3-[(2S)-2-hydroxypropoxy]-4-methyl-1-phenylpyrazol-5-yl]urea
CID 71041411
1-[3-(2-hydroxyethoxy)-4-methyl-1-phenylpyrazol-5-yl]-3-[[5-(methoxymethyl)-2-methylphenyl]methyl]urea
CID 122547251
phenyl N-[3-(2-fluoroethoxy)-4-methyl-1-phenylpyrazol-5-yl]carbamate
CID 118128540
5-amino-3-methoxy-1-phenylpyrazole-4-carboxamide
CID 16784714
phenyl N-[3-[(2S)-2-hydroxypropoxy]-4-methyl-1-phenylpyrazol-5-yl]carbamate
CID 89189178
[3-(2-methoxypyrimidin-5-yl)-4-methyl-1-phenylpyrazol-5-yl]urea
CID 139318982
1-(3-ethoxy-4-methyl-1-phenylpyrazol-5-yl)-3-[(3S,4R)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]urea
CID 71470654
1-(3-ethoxy-4-methyl-1-phenylpyrazol-5-yl)-3-[(3R,4S)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]urea
CID 118129064
4-[4-methyl-5-(methylamino)-1-phenylpyrazol-3-yl]oxybutanal
CID 145228971

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-4-methyl-1-phenylpyrazol-5-yl)-3-methylurea?
The IUPAC name of 1-(3-methoxy-4-methyl-1-phenylpyrazol-5-yl)-3-methylurea (CID 123778473) is 1-(3-methoxy-4-methyl-1-phenylpyrazol-5-yl)-3-methylurea.
What is the SMILES notation for 1-(3-methoxy-4-methyl-1-phenylpyrazol-5-yl)-3-methylurea?
The canonical SMILES for 1-(3-methoxy-4-methyl-1-phenylpyrazol-5-yl)-3-methylurea is CNC(=O)Nc1c(C)c(OC)nn1-c1ccccc1.
What is the InChIKey of 1-(3-methoxy-4-methyl-1-phenylpyrazol-5-yl)-3-methylurea?
The InChIKey is YWYPMMHMBOHWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-9-11(15-13(18)14-2)17(16-12(9)19-3)10-7-5-4-6-8-10/h4-8H,1-3H3,(H2,14,15,18).
What are the key properties of 1-(3-methoxy-4-methyl-1-phenylpyrazol-5-yl)-3-methylurea?
1-(3-methoxy-4-methyl-1-phenylpyrazol-5-yl)-3-methylurea has a molecular weight of 260.30 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-4-methyl-1-phenylpyrazol-5-yl)-3-methylurea is sourced from PubChem (CID 123778473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).