1-(5-chloro-2-methoxyphenyl)-3-(2-ethyl-5-methylpyrazol-3-yl)urea

C14H17ClN4O2 — CID 39853453

IUPAC1-(5-chloro-2-methoxyphenyl)-3-(2-ethyl-5-methylpyrazol-3-yl)urea
SMILESCCn1nc(C)cc1NC(=O)Nc1cc(Cl)ccc1OC
InChIInChI=1S/C14H17ClN4O2/c1-4-19-13(7-9(2)18-19)17-14(20)16-11-8-10(15)5-6-12(11)21-3/h5-8H,4H2,1-3H3,(H2,16,17,20)
InChIKeyWGFKJRNJEKBLMX-UHFFFAOYSA-N
MW308.77 g/mol
LogP3.52
Rot. Bonds4

About 1-(5-chloro-2-methoxyphenyl)-3-(2-ethyl-5-methylpyrazol-3-yl)urea

1-(5-chloro-2-methoxyphenyl)-3-(2-ethyl-5-methylpyrazol-3-yl)urea (PubChem CID 39853453) has the molecular formula C14H17ClN4O2 and a molecular weight of 308.77 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-3-(2-ethyl-5-methylpyrazol-3-yl)urea.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-3-(2-ethyl-5-methylpyrazol-3-yl)urea
PubChem CID39853453
Molecular FormulaC14H17ClN4O2
Molecular Weight308.77 g/mol
Exact Mass308.10
IUPAC Name1-(5-chloro-2-methoxyphenyl)-3-(2-ethyl-5-methylpyrazol-3-yl)urea
SMILESCCn1nc(C)cc1NC(=O)Nc1cc(Cl)ccc1OC
InChIInChI=1S/C14H17ClN4O2/c1-4-19-13(7-9(2)18-19)17-14(20)16-11-8-10(15)5-6-12(11)21-3/h5-8H,4H2,1-3H3,(H2,16,17,20)
InChIKeyWGFKJRNJEKBLMX-UHFFFAOYSA-N
XLogP3.52
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-3-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]urea
CID 74924622
1-(5-chloro-2-methoxyphenyl)-3-(4,6-dimethyl-2-pyridinyl)urea
CID 971831
1-(5-chloro-2-methoxyphenyl)-3-(2,4,6-trimethylphenyl)urea
CID 108875486
1-(5-chloro-2-methoxyphenyl)-3-(2-methoxy-4,6-dimethylpyrimidin-5-yl)urea
CID 122302630
1-(5-chloro-2-methoxyphenyl)-3-(cyanomethyl)urea
CID 108864649
ethyl 2-[(5-chloro-2-methoxyphenyl)carbamoylamino]benzoate
CID 972202
1-(4-bromo-2-ethylphenyl)-3-(5-chloro-2-methoxyphenyl)urea
CID 2211517
1-(5-chloro-2-methoxyphenyl)-3-(3,4-diethoxyphenyl)urea
CID 108875508
1-(5-chloro-2-methoxyphenyl)-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)thiourea
CID 970116
methyl 2-[(5-chloro-2-methoxyphenyl)carbamoylamino]acetate
CID 108875604
1-(5-chloro-2-methoxyphenyl)-3-(5-fluoro-2-methylphenyl)urea
CID 970503
3-chloro-N-(2-ethyl-5-methylpyrazol-3-yl)benzamide
CID 45284642

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-(2-ethyl-5-methylpyrazol-3-yl)urea?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-(2-ethyl-5-methylpyrazol-3-yl)urea (CID 39853453) is 1-(5-chloro-2-methoxyphenyl)-3-(2-ethyl-5-methylpyrazol-3-yl)urea.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-3-(2-ethyl-5-methylpyrazol-3-yl)urea?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-3-(2-ethyl-5-methylpyrazol-3-yl)urea is CCn1nc(C)cc1NC(=O)Nc1cc(Cl)ccc1OC.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-3-(2-ethyl-5-methylpyrazol-3-yl)urea?
The InChIKey is WGFKJRNJEKBLMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O2/c1-4-19-13(7-9(2)18-19)17-14(20)16-11-8-10(15)5-6-12(11)21-3/h5-8H,4H2,1-3H3,(H2,16,17,20).
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-3-(2-ethyl-5-methylpyrazol-3-yl)urea?
1-(5-chloro-2-methoxyphenyl)-3-(2-ethyl-5-methylpyrazol-3-yl)urea has a molecular weight of 308.77 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-3-(2-ethyl-5-methylpyrazol-3-yl)urea is sourced from PubChem (CID 39853453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).