3-(2-chloro-4-fluorophenyl)-1-[(1-ethylpyrazol-4-yl)methyl]-1-(2-methoxyethyl)urea

C16H20ClFN4O2 — CID 72935359

IUPAC3-(2-chloro-4-fluorophenyl)-1-[(1-ethylpyrazol-4-yl)methyl]-1-(2-methoxyethyl)urea
SMILESCCn1cc(CN(CCOC)C(=O)Nc2ccc(F)cc2Cl)cn1
InChIInChI=1S/C16H20ClFN4O2/c1-3-22-11-12(9-19-22)10-21(6-7-24-2)16(23)20-15-5-4-13(18)8-14(15)17/h4-5,8-9,11H,3,6-7,10H2,1-2H3,(H,20,23)
InChIKeyUIGXJCBFYREYOI-UHFFFAOYSA-N
MW354.81 g/mol
LogP3.38
Rot. Bonds7

About 3-(2-chloro-4-fluorophenyl)-1-[(1-ethylpyrazol-4-yl)methyl]-1-(2-methoxyethyl)urea

3-(2-chloro-4-fluorophenyl)-1-[(1-ethylpyrazol-4-yl)methyl]-1-(2-methoxyethyl)urea (PubChem CID 72935359) has the molecular formula C16H20ClFN4O2 and a molecular weight of 354.81 g/mol. Its IUPAC name is 3-(2-chloro-4-fluorophenyl)-1-[(1-ethylpyrazol-4-yl)methyl]-1-(2-methoxyethyl)urea.

Molecular Properties

Compound Name3-(2-chloro-4-fluorophenyl)-1-[(1-ethylpyrazol-4-yl)methyl]-1-(2-methoxyethyl)urea
PubChem CID72935359
Molecular FormulaC16H20ClFN4O2
Molecular Weight354.81 g/mol
Exact Mass354.13
IUPAC Name3-(2-chloro-4-fluorophenyl)-1-[(1-ethylpyrazol-4-yl)methyl]-1-(2-methoxyethyl)urea
SMILESCCn1cc(CN(CCOC)C(=O)Nc2ccc(F)cc2Cl)cn1
InChIInChI=1S/C16H20ClFN4O2/c1-3-22-11-12(9-19-22)10-21(6-7-24-2)16(23)20-15-5-4-13(18)8-14(15)17/h4-5,8-9,11H,3,6-7,10H2,1-2H3,(H,20,23)
InChIKeyUIGXJCBFYREYOI-UHFFFAOYSA-N
XLogP3.38
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.81
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(2-chloro-4-fluorophenyl)-1-[(1-ethylpyrazol-4-yl)methyl]-1-(2-methoxyethyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-(3-Chloro-2-pyrazol-1-ylphenyl)-3-(3-methoxypropyl)urea
CID 51085499
N-(2-chlorophenyl)-4-[1-(3-fluorophenyl)-1H-pyrazol-4-yl]piperidine-1-carboxamide
CID 71842269
N-(4-Chlorophenyl)-N'-[(1-ethyl-3-methyl-1H-pyrazol-4-YL)methyl]urea
CID 898365
3-(4-chlorophenyl)-1-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-1-methylurea
CID 4319309
1-(2-chlorophenyl)-3-(1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)urea
CID 71810269
1-(3-chloro-4-fluorophenyl)-3-[3-(4-methyl-1H-pyrazol-1-yl)propyl]urea
CID 2208308
2-(2-chloroanilino)-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylacetamide
CID 51098586
3-(3-Fluoro-4-morpholin-4-ylphenyl)-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 56801110
1-Ethyl-1-(4-fluorophenyl)-3-[4-(1-methylpyrazol-4-yl)butyl]urea
CID 71879455
1-[1-(2-chlorophenyl)-4-methylpyrazol-3-yl]-3-[(3S)-oxan-3-yl]urea
CID 164632930

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4-fluorophenyl)-1-[(1-ethylpyrazol-4-yl)methyl]-1-(2-methoxyethyl)urea?
The IUPAC name of 3-(2-chloro-4-fluorophenyl)-1-[(1-ethylpyrazol-4-yl)methyl]-1-(2-methoxyethyl)urea (CID 72935359) is 3-(2-chloro-4-fluorophenyl)-1-[(1-ethylpyrazol-4-yl)methyl]-1-(2-methoxyethyl)urea.
What is the SMILES notation for 3-(2-chloro-4-fluorophenyl)-1-[(1-ethylpyrazol-4-yl)methyl]-1-(2-methoxyethyl)urea?
The canonical SMILES for 3-(2-chloro-4-fluorophenyl)-1-[(1-ethylpyrazol-4-yl)methyl]-1-(2-methoxyethyl)urea is CCn1cc(CN(CCOC)C(=O)Nc2ccc(F)cc2Cl)cn1.
What is the InChIKey of 3-(2-chloro-4-fluorophenyl)-1-[(1-ethylpyrazol-4-yl)methyl]-1-(2-methoxyethyl)urea?
The InChIKey is UIGXJCBFYREYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClFN4O2/c1-3-22-11-12(9-19-22)10-21(6-7-24-2)16(23)20-15-5-4-13(18)8-14(15)17/h4-5,8-9,11H,3,6-7,10H2,1-2H3,(H,20,23).
What are the key properties of 3-(2-chloro-4-fluorophenyl)-1-[(1-ethylpyrazol-4-yl)methyl]-1-(2-methoxyethyl)urea?
3-(2-chloro-4-fluorophenyl)-1-[(1-ethylpyrazol-4-yl)methyl]-1-(2-methoxyethyl)urea has a molecular weight of 354.81 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4-fluorophenyl)-1-[(1-ethylpyrazol-4-yl)methyl]-1-(2-methoxyethyl)urea is sourced from PubChem (CID 72935359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).