1-(2-methoxyphenyl)-3-(1-methylpyrazol-3-yl)urea

C12H14N4O2 — CID 17278264

IUPAC1-(2-methoxyphenyl)-3-(1-methylpyrazol-3-yl)urea
SMILESCOc1ccccc1NC(=O)Nc1ccn(C)n1
InChIInChI=1S/C12H14N4O2/c1-16-8-7-11(15-16)14-12(17)13-9-5-3-4-6-10(9)18-2/h3-8H,1-2H3,(H2,13,14,15,17)
InChIKeyFRUMHKBROSWIMV-UHFFFAOYSA-N
MW246.27 g/mol
LogP2.07
Rot. Bonds3

About 1-(2-methoxyphenyl)-3-(1-methylpyrazol-3-yl)urea

1-(2-methoxyphenyl)-3-(1-methylpyrazol-3-yl)urea (PubChem CID 17278264) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-(1-methylpyrazol-3-yl)urea.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-(1-methylpyrazol-3-yl)urea
PubChem CID17278264
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name1-(2-methoxyphenyl)-3-(1-methylpyrazol-3-yl)urea
SMILESCOc1ccccc1NC(=O)Nc1ccn(C)n1
InChIInChI=1S/C12H14N4O2/c1-16-8-7-11(15-16)14-12(17)13-9-5-3-4-6-10(9)18-2/h3-8H,1-2H3,(H2,13,14,15,17)
InChIKeyFRUMHKBROSWIMV-UHFFFAOYSA-N
XLogP2.07
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Fpl 62064
CID 128268
N-[3-(tert-butyl)-1-methyl-1H-pyrazol-5-yl]-N'-(2-methoxyphenyl)urea
CID 2811926
1-(5-Chloro-2-methoxyphenyl)-3-(1,3-dimethylpyrazol-4-yl)urea
CID 2811436
N-(2-methoxyphenyl)-N'-{4-[3-(trifluoromethyl)-1H-pyrazol-1-yl]phenyl}urea
CID 2812809
1-(2-Methoxyphenyl)-3-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]urea
CID 2544536
N-(4-bromo-1-methyl-1H-pyrazol-5-yl)-N'-[4-(trifluoromethoxy)phenyl]urea
CID 2808956
N-(2-cyclopentylpyrazol-3-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 8239952
N-(1-methyl-1H-pyrazol-5-yl)-N'-[4-(trifluoromethoxy)phenyl]urea
CID 2808863
1-(2-Methoxyphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)urea
CID 4885279
(13E,14E)-34-fluoro-17-(methylamino)-4-oxa-2,7-diaza-1(5,3)-pyrazolo[1,5-a]pyrimidina-3(1,2)-benzenacyclooctaphan-8-one
CID 155153459
(13E,14E)-35-fluoro-17-(methylamino)-4-oxa-2,7-diaza-1(5,3)-pyrazolo[1,5-a]pyrimidina-3(1,2)-benzenacyclooctaphan-8-one
CID 155153465
N-(2-methoxyphenyl)-N'-{1-[1-(tetrahydro-3-furanylcarbonyl)-4-piperidinyl]-1H-pyrazol-5-yl}urea
CID 45209916

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-(1-methylpyrazol-3-yl)urea?
The IUPAC name of 1-(2-methoxyphenyl)-3-(1-methylpyrazol-3-yl)urea (CID 17278264) is 1-(2-methoxyphenyl)-3-(1-methylpyrazol-3-yl)urea.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-(1-methylpyrazol-3-yl)urea?
The canonical SMILES for 1-(2-methoxyphenyl)-3-(1-methylpyrazol-3-yl)urea is COc1ccccc1NC(=O)Nc1ccn(C)n1.
What is the InChIKey of 1-(2-methoxyphenyl)-3-(1-methylpyrazol-3-yl)urea?
The InChIKey is FRUMHKBROSWIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-16-8-7-11(15-16)14-12(17)13-9-5-3-4-6-10(9)18-2/h3-8H,1-2H3,(H2,13,14,15,17).
What are the key properties of 1-(2-methoxyphenyl)-3-(1-methylpyrazol-3-yl)urea?
1-(2-methoxyphenyl)-3-(1-methylpyrazol-3-yl)urea has a molecular weight of 246.27 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3-(1-methylpyrazol-3-yl)urea is sourced from PubChem (CID 17278264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).