3-fluoro-N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]benzamide

C23H25FN4O3 — CID 11553617

IUPAC3-fluoro-N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]benzamide
SMILESCn1nccc1-c1cc(NC(=O)c2cccc(F)c2)ccc1OCCN1CCOCC1
InChIInChI=1S/C23H25FN4O3/c1-27-21(7-8-25-27)20-16-19(26-23(29)17-3-2-4-18(24)15-17)5-6-22(20)31-14-11-28-9-12-30-13-10-28/h2-8,15-16H,9-14H2,1H3,(H,26,29)
InChIKeyHHVFTJYXWSFDDY-UHFFFAOYSA-N
MW424.48 g/mol
LogP3.19
Rot. Bonds7

About 3-fluoro-N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]benzamide

3-fluoro-N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]benzamide (PubChem CID 11553617) has the molecular formula C23H25FN4O3 and a molecular weight of 424.48 g/mol. Its IUPAC name is 3-fluoro-N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]benzamide
PubChem CID11553617
Molecular FormulaC23H25FN4O3
Molecular Weight424.48 g/mol
Exact Mass424.19
IUPAC Name3-fluoro-N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]benzamide
SMILESCn1nccc1-c1cc(NC(=O)c2cccc(F)c2)ccc1OCCN1CCOCC1
InChIInChI=1S/C23H25FN4O3/c1-27-21(7-8-25-27)20-16-19(26-23(29)17-3-2-4-18(24)15-17)5-6-22(20)31-14-11-28-9-12-30-13-10-28/h2-8,15-16H,9-14H2,1H3,(H,26,29)
InChIKeyHHVFTJYXWSFDDY-UHFFFAOYSA-N
XLogP3.19
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Temanogrel
CID 25177971
[3-(2-Methyl-2H-pyrazol-3-yl)-4-(2-pyrrolidin-1-yl-ethoxy)-phenyl]-3-trifluoromethyl-benzamide
CID 11612277
1-(3-(4-chloro-1-methyl-1H-pyrazol-5-yl)-4-(2-morpholinoethoxy)phenyl)-3-(2,4-difluorophenyl)urea
CID 44555382
1-(4-methoxyphenyl)-3-(3-(1-methyl-1H-pyrazol-5-yl)-4-(2-(piperidin-1-yl)ethoxy)phenyl)urea
CID 45486657
1-(3-fluorophenyl)-3-(3-(1-methyl-1H-pyrazol-5-yl)-4-(2-morpholinoethoxy)phenyl)urea
CID 45486658
1-(3-chlorophenyl)-3-(3-(1-methyl-1H-pyrazol-5-yl)-4-(2-(piperidin-1-yl)ethoxy)phenyl)urea
CID 45486664
1-(3-(1-methyl-1H-pyrazol-5-yl)-4-(2-(piperidin-1-yl)ethoxy)phenyl)-3-(3-(trifluoromethyl)phenyl)urea
CID 45486665
1-(3-fluorophenyl)-3-(3-(1-methyl-1H-pyrazol-5-yl)-4-(2-(piperidin-1-yl)ethoxy)phenyl)urea
CID 45486672
1-(4-chlorophenyl)-3-(3-(1-methyl-1H-pyrazol-5-yl)-4-(2-morpholinoethoxy)phenyl)urea
CID 45486677
1-(3-(1-methyl-1H-pyrazol-5-yl)-4-(2-(piperidin-1-yl)ethoxy)phenyl)-3-(4-(trifluoromethyl)phenyl)urea
CID 45486696
1-(4-fluorophenyl)-3-(3-(1-methyl-1H-pyrazol-5-yl)-4-(2-(piperidin-1-yl)ethoxy)phenyl)urea
CID 45486713
1-(4-chlorophenyl)-3-(3-(1-methyl-1H-pyrazol-5-yl)-4-(2-(piperidin-1-yl)ethoxy)phenyl)urea
CID 45486715

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]benzamide?
The IUPAC name of 3-fluoro-N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]benzamide (CID 11553617) is 3-fluoro-N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]benzamide?
The canonical SMILES for 3-fluoro-N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]benzamide is Cn1nccc1-c1cc(NC(=O)c2cccc(F)c2)ccc1OCCN1CCOCC1.
What is the InChIKey of 3-fluoro-N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]benzamide?
The InChIKey is HHVFTJYXWSFDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O3/c1-27-21(7-8-25-27)20-16-19(26-23(29)17-3-2-4-18(24)15-17)5-6-22(20)31-14-11-28-9-12-30-13-10-28/h2-8,15-16H,9-14H2,1H3,(H,26,29).
What are the key properties of 3-fluoro-N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]benzamide?
3-fluoro-N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]benzamide has a molecular weight of 424.48 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]benzamide is sourced from PubChem (CID 11553617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).