1-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-3-(3,5-difluorophenyl)urea

C23H24ClF2N5O3 — CID 45486733

IUPAC1-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-3-(3,5-difluorophenyl)urea
SMILESCn1ncc(Cl)c1-c1cc(NC(=O)Nc2cc(F)cc(F)c2)ccc1OCCN1CCOCC1
InChIInChI=1S/C23H24ClF2N5O3/c1-30-22(20(24)14-27-30)19-13-17(28-23(32)29-18-11-15(25)10-16(26)12-18)2-3-21(19)34-9-6-31-4-7-33-8-5-31/h2-3,10-14H,4-9H2,1H3,(H2,28,29,32)
InChIKeyGRPRWWMTSFYUBX-UHFFFAOYSA-N
MW491.93 g/mol
LogP4.37
Rot. Bonds7

About 1-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-3-(3,5-difluorophenyl)urea

1-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-3-(3,5-difluorophenyl)urea (PubChem CID 45486733) has the molecular formula C23H24ClF2N5O3 and a molecular weight of 491.93 g/mol. Its IUPAC name is 1-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-3-(3,5-difluorophenyl)urea.

Molecular Properties

Compound Name1-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-3-(3,5-difluorophenyl)urea
PubChem CID45486733
Molecular FormulaC23H24ClF2N5O3
Molecular Weight491.93 g/mol
Exact Mass491.15
IUPAC Name1-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-3-(3,5-difluorophenyl)urea
SMILESCn1ncc(Cl)c1-c1cc(NC(=O)Nc2cc(F)cc(F)c2)ccc1OCCN1CCOCC1
InChIInChI=1S/C23H24ClF2N5O3/c1-30-22(20(24)14-27-30)19-13-17(28-23(32)29-18-11-15(25)10-16(26)12-18)2-3-21(19)34-9-6-31-4-7-33-8-5-31/h2-3,10-14H,4-9H2,1H3,(H2,28,29,32)
InChIKeyGRPRWWMTSFYUBX-UHFFFAOYSA-N
XLogP4.37
TPSA80.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.93
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Nelotanserin
CID 11683556
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-(4-Chloro-phenyl)-urea
CID 11247569
1-[3-(4-Bromo-2-methyl-2H-pyrazol-3-yl)-4-methoxy-phenyl]-3-(4-chloro-2-trifluoromethyl-phenyl)-urea
CID 11283484
1-[3-(4-Bromo-2-methyl-2H-pyrazol-3-yl)-4-isopropoxy-phenyl]-3-(4-Chloro-phenyl)-urea
CID 11328744
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-Chloro-2-methyl-2H-pyrazol-3-yl)-4-methoxy-phenyl]-3-(4-Chloro-phenyl)-urea
CID 11429246
1-[3-(4-Bromo-2-methyl-2H-pyrazol-3-yl)-4-methoxy-phenyl]-3-(3-Chloro-phenyl)-urea
CID 11453346
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-(4-Chloro-3-trifluoromethyl-phenyl)-urea
CID 11519011
1-[3-(4-Bromo-2-methyl-2H-pyrazol-3-yl)-4-methoxy-phenyl]-3-(2-fluoro-phenyl)-urea
CID 11531833

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-3-(3,5-difluorophenyl)urea?
The IUPAC name of 1-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-3-(3,5-difluorophenyl)urea (CID 45486733) is 1-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-3-(3,5-difluorophenyl)urea.
What is the SMILES notation for 1-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-3-(3,5-difluorophenyl)urea?
The canonical SMILES for 1-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-3-(3,5-difluorophenyl)urea is Cn1ncc(Cl)c1-c1cc(NC(=O)Nc2cc(F)cc(F)c2)ccc1OCCN1CCOCC1.
What is the InChIKey of 1-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-3-(3,5-difluorophenyl)urea?
The InChIKey is GRPRWWMTSFYUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClF2N5O3/c1-30-22(20(24)14-27-30)19-13-17(28-23(32)29-18-11-15(25)10-16(26)12-18)2-3-21(19)34-9-6-31-4-7-33-8-5-31/h2-3,10-14H,4-9H2,1H3,(H2,28,29,32).
What are the key properties of 1-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-3-(3,5-difluorophenyl)urea?
1-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-3-(3,5-difluorophenyl)urea has a molecular weight of 491.93 g/mol, XLogP of 4.37, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-3-(3,5-difluorophenyl)urea is sourced from PubChem (CID 45486733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).