1-(3-chloro-2-fluorophenyl)-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea

C13H14ClFN4O2 — CID 75521200

IUPAC1-(3-chloro-2-fluorophenyl)-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea
SMILESCOCCn1ccc(NC(=O)Nc2cccc(Cl)c2F)n1
InChIInChI=1S/C13H14ClFN4O2/c1-21-8-7-19-6-5-11(18-19)17-13(20)16-10-4-2-3-9(14)12(10)15/h2-6H,7-8H2,1H3,(H2,16,17,18,20)
InChIKeyPMJZUGSWRFFQNI-UHFFFAOYSA-N
MW312.73 g/mol
LogP2.97
Rot. Bonds5

About 1-(3-chloro-2-fluorophenyl)-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea

1-(3-chloro-2-fluorophenyl)-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea (PubChem CID 75521200) has the molecular formula C13H14ClFN4O2 and a molecular weight of 312.73 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea
PubChem CID75521200
Molecular FormulaC13H14ClFN4O2
Molecular Weight312.73 g/mol
Exact Mass312.08
IUPAC Name1-(3-chloro-2-fluorophenyl)-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea
SMILESCOCCn1ccc(NC(=O)Nc2cccc(Cl)c2F)n1
InChIInChI=1S/C13H14ClFN4O2/c1-21-8-7-19-6-5-11(18-19)17-13(20)16-10-4-2-3-9(14)12(10)15/h2-6H,7-8H2,1H3,(H2,16,17,18,20)
InChIKeyPMJZUGSWRFFQNI-UHFFFAOYSA-N
XLogP2.97
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.73
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-N'-(1-methyl-1H-pyrazol-5-yl)urea
CID 2808768
N-(4-chlorophenyl)-N'-(1-methyl-1H-pyrazol-3-yl)urea
CID 2807713
1-(2,4-Dichlorophenyl)-3-(1-methyl-3-pyrazolyl)urea
CID 970792
1-(2,3-Dichlorophenyl)-3-(2-methylpyrazol-3-yl)urea
CID 2808879
N-(3-chlorophenyl)-N'-(1-methyl-1H-pyrazol-5-yl)urea
CID 2808886
N-[2-(4-chlorophenyl)pyrazol-3-yl]-2-methoxyacetamide
CID 71993390
1-(4-Bromo-1-methylpyrazol-5-yl)-3-(4-chlorophenyl)urea
CID 2808947
1-(1-Methylpyrazol-3-yl)-3-phenylurea
CID 2807714
N-(3-chloro-2-methylphenyl)-N'-(1-methyl-1H-pyrazol-3-yl)urea
CID 1295552
1-(3-Chloro-2-fluorophenyl)-3-(3-pyrazol-1-ylpropyl)urea
CID 45821293
1-(4-Chloro-3-fluorophenyl)-3-(3-pyrazol-1-ylpropyl)urea
CID 47223568
1-[1-(2-Methoxyethyl)pyrazol-3-yl]-3-pyridin-4-ylurea
CID 53550212

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea (CID 75521200) is 1-(3-chloro-2-fluorophenyl)-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea is COCCn1ccc(NC(=O)Nc2cccc(Cl)c2F)n1.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea?
The InChIKey is PMJZUGSWRFFQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFN4O2/c1-21-8-7-19-6-5-11(18-19)17-13(20)16-10-4-2-3-9(14)12(10)15/h2-6H,7-8H2,1H3,(H2,16,17,18,20).
What are the key properties of 1-(3-chloro-2-fluorophenyl)-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea?
1-(3-chloro-2-fluorophenyl)-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea has a molecular weight of 312.73 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-fluorophenyl)-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea is sourced from PubChem (CID 75521200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).