1-(2-methoxyphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)urea

C14H18N4O2 — CID 4885279

IUPAC1-(2-methoxyphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)urea
SMILESCOc1ccccc1NC(=O)Nc1c(C)nn(C)c1C
InChIInChI=1S/C14H18N4O2/c1-9-13(10(2)18(3)17-9)16-14(19)15-11-7-5-6-8-12(11)20-4/h5-8H,1-4H3,(H2,15,16,19)
InChIKeyFWFVUYRHIHADRT-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.69
Rot. Bonds3

About 1-(2-methoxyphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)urea

1-(2-methoxyphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)urea (PubChem CID 4885279) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)urea.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)urea
PubChem CID4885279
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name1-(2-methoxyphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)urea
SMILESCOc1ccccc1NC(=O)Nc1c(C)nn(C)c1C
InChIInChI=1S/C14H18N4O2/c1-9-13(10(2)18(3)17-9)16-14(19)15-11-7-5-6-8-12(11)20-4/h5-8H,1-4H3,(H2,15,16,19)
InChIKeyFWFVUYRHIHADRT-UHFFFAOYSA-N
XLogP2.69
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl]-2-methoxyaniline
CID 703663
1-(2-Methoxy-phenyl)-3-(1-methyl-1H-benzotriazol-5-yl)-urea
CID 893629
N'-(5-chloro-2-methoxyphenyl)-N-methyl-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]urea
CID 971950
3-(3,5-dimethyl-1H-pyrazol-1-yl)-N-(4-methoxyphenyl)propanamide
CID 3245018
1-(2,4-Dimethoxyphenyl)-3-[2-(1,3,5-trimethyl-1H-pyrazol-4-YL)ethyl]urea
CID 16028486
1-(5-Chloro-2-methoxyphenyl)-3-methyl-3-[2-(1,3,5-trimethyl-1H-pyrazol-4-YL)ethyl]urea
CID 16028490
1-(2-Ethoxyphenyl)-3-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-YL)ethyl]-3-methylurea
CID 16028542
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 2620928
1-(5-Chloro-2-methoxyphenyl)-3-[2-(1,3,5-trimethyl-1H-pyrazol-4-YL)ethyl]urea
CID 16028462
N-{2-methoxy-4-[(1,3,5-trimethyl-1H-pyrazol-4-yl)sulfamoyl]phenyl}acetamide
CID 8124901

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)urea?
The IUPAC name of 1-(2-methoxyphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)urea (CID 4885279) is 1-(2-methoxyphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)urea.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)urea?
The canonical SMILES for 1-(2-methoxyphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)urea is COc1ccccc1NC(=O)Nc1c(C)nn(C)c1C.
What is the InChIKey of 1-(2-methoxyphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)urea?
The InChIKey is FWFVUYRHIHADRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-9-13(10(2)18(3)17-9)16-14(19)15-11-7-5-6-8-12(11)20-4/h5-8H,1-4H3,(H2,15,16,19).
What are the key properties of 1-(2-methoxyphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)urea?
1-(2-methoxyphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)urea has a molecular weight of 274.32 g/mol, XLogP of 2.69, 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-(1,3,5-trimethylpyrazol-4-yl)urea is sourced from PubChem (CID 4885279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).