1-(3-fluorophenyl)-3-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]urea

C23H26FN5O3 — CID 45486658

IUPAC1-(3-fluorophenyl)-3-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]urea
SMILESCn1nccc1-c1cc(NC(=O)Nc2cccc(F)c2)ccc1OCCN1CCOCC1
InChIInChI=1S/C23H26FN5O3/c1-28-21(7-8-25-28)20-16-19(27-23(30)26-18-4-2-3-17(24)15-18)5-6-22(20)32-14-11-29-9-12-31-13-10-29/h2-8,15-16H,9-14H2,1H3,(H2,26,27,30)
InChIKeyLWGMDNNOEWQBBG-UHFFFAOYSA-N
MW439.49 g/mol
LogP3.58
Rot. Bonds7

About 1-(3-fluorophenyl)-3-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]urea

1-(3-fluorophenyl)-3-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]urea (PubChem CID 45486658) has the molecular formula C23H26FN5O3 and a molecular weight of 439.49 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]urea.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]urea
PubChem CID45486658
Molecular FormulaC23H26FN5O3
Molecular Weight439.49 g/mol
Exact Mass439.20
IUPAC Name1-(3-fluorophenyl)-3-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]urea
SMILESCn1nccc1-c1cc(NC(=O)Nc2cccc(F)c2)ccc1OCCN1CCOCC1
InChIInChI=1S/C23H26FN5O3/c1-28-21(7-8-25-28)20-16-19(27-23(30)26-18-4-2-3-17(24)15-18)5-6-22(20)32-14-11-29-9-12-31-13-10-29/h2-8,15-16H,9-14H2,1H3,(H2,26,27,30)
InChIKeyLWGMDNNOEWQBBG-UHFFFAOYSA-N
XLogP3.58
TPSA80.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.49
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Nelotanserin
CID 11683556
Temanogrel
CID 25177971
1-[3-(4-Bromo-2-methyl-2H-pyrazol-3-yl)-4-methoxy-phenyl]-3-(3,5-difluoro-phenyl)urea
CID 11154832
1-[3-(4-Bromo-2-methyl-2H-pyrazol-3-yl)-4-ethoxy-phenyl]-3-(4-Chloro-phenyl)-urea
CID 11166827
1-[3-(4-Bromo-2-methyl-2H-pyrazol-3-yl)-4-methoxy-phenyl]-3-(3-cyano-phenyl)-urea
CID 11258838
1-[3-(4-Bromo-2-methyl-2H-pyrazol-3-yl)-4-methoxy-phenyl]-3-(4-bromo-phenyl)-urea
CID 11294575
1-(3,5-Bis-trifluoromethyl-phenyl)-3-[3-(4-chloro-2-methyl-2H-pyrazol-3-yl)-4-methoxy-phenyl]-urea
CID 11363880
1-[3-(4-Bromo-2-methyl-2H-pyrazol-3-yl)-4-methoxy-phenyl]-3-(4-trifluoromethyl-phenyl)urea
CID 11374796
1-[3-(4-Chloro-2-methyl-2H-pyrazol-3-yl)-4-methoxy-phenyl]-3-(4-Chloro-phenyl)-urea
CID 11429246
1-(3-(4-bromo-1-methyl-1H-pyrazol-5-yl)-4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)-3-(2,4-difluorophenyl)urea
CID 11497283
1-[3-(4-Bromo-2-methyl-2H-pyrazol-3-yl)-4-methoxy-phenyl]-3-(2-fluoro-phenyl)-urea
CID 11531833
1-[3-(4-Bromo-2-methyl-2H-pyrazol-3-yl)-4-methoxy-phenyl]-3-(3-fluoro-phenyl)-urea
CID 11567937

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]urea?
The IUPAC name of 1-(3-fluorophenyl)-3-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]urea (CID 45486658) is 1-(3-fluorophenyl)-3-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]urea.
What is the SMILES notation for 1-(3-fluorophenyl)-3-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]urea?
The canonical SMILES for 1-(3-fluorophenyl)-3-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]urea is Cn1nccc1-c1cc(NC(=O)Nc2cccc(F)c2)ccc1OCCN1CCOCC1.
What is the InChIKey of 1-(3-fluorophenyl)-3-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]urea?
The InChIKey is LWGMDNNOEWQBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5O3/c1-28-21(7-8-25-28)20-16-19(27-23(30)26-18-4-2-3-17(24)15-18)5-6-22(20)32-14-11-29-9-12-31-13-10-29/h2-8,15-16H,9-14H2,1H3,(H2,26,27,30).
What are the key properties of 1-(3-fluorophenyl)-3-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]urea?
1-(3-fluorophenyl)-3-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]urea has a molecular weight of 439.49 g/mol, XLogP of 3.58, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]urea is sourced from PubChem (CID 45486658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).