2-[(4-fluorophenyl)methoxy]-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzoic acid

C23H24FN3O4 — CID 67106893

IUPAC2-[(4-fluorophenyl)methoxy]-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzoic acid
SMILESO=C(O)c1cc(-c2cnn(CCN3CCOCC3)c2)ccc1OCc1ccc(F)cc1
InChIInChI=1S/C23H24FN3O4/c24-20-4-1-17(2-5-20)16-31-22-6-3-18(13-21(22)23(28)29)19-14-25-27(15-19)8-7-26-9-11-30-12-10-26/h1-6,13-15H,7-12,16H2,(H,28,29)
InChIKeyKBZDUIWUFKYCDT-UHFFFAOYSA-N
MW425.46 g/mol
LogP3.30
Rot. Bonds8

About 2-[(4-fluorophenyl)methoxy]-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzoic acid

2-[(4-fluorophenyl)methoxy]-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzoic acid (PubChem CID 67106893) has the molecular formula C23H24FN3O4 and a molecular weight of 425.46 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methoxy]-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzoic acid.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methoxy]-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzoic acid
PubChem CID67106893
Molecular FormulaC23H24FN3O4
Molecular Weight425.46 g/mol
Exact Mass425.18
IUPAC Name2-[(4-fluorophenyl)methoxy]-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzoic acid
SMILESO=C(O)c1cc(-c2cnn(CCN3CCOCC3)c2)ccc1OCc1ccc(F)cc1
InChIInChI=1S/C23H24FN3O4/c24-20-4-1-17(2-5-20)16-31-22-6-3-18(13-21(22)23(28)29)19-14-25-27(15-19)8-7-26-9-11-30-12-10-26/h1-6,13-15H,7-12,16H2,(H,28,29)
InChIKeyKBZDUIWUFKYCDT-UHFFFAOYSA-N
XLogP3.30
TPSA76.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.46
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[(4-fluorophenyl)methoxy]-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]-2-pyridin-3-ylethanone
CID 158832739
5-(4-fluorophenyl)-2-phenylmethoxybenzoic acid
CID 154202317
2-[(4-fluorophenyl)methoxy]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 17494490
5-(1-methylpyrazol-4-yl)-4-(morpholine-4-carbonyl)-2-phenylmethoxybenzoic acid
CID 66611117
2-amino-4-(4-fluorophenyl)-9-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]indeno[1,2-d]pyrimidin-5-one
CID 52920358
4-[3-[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]propyl]morpholine
CID 170870408
4-[2-[4-[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pyrazol-1-yl]ethyl]morpholine
CID 162645311
2-phenylmethoxy-5-(3,4,5-trifluorophenyl)benzoic acid
CID 172650688
[7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]urea
CID 90288240
4-[2-[4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)pyrazol-1-yl]ethyl]morpholine
CID 171431398
5-(4-fluorophenyl)-2-prop-2-enoxybenzoic acid
CID 21416446
2-methoxy-5-(morpholin-4-ylmethyl)benzoic acid
CID 46785387

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methoxy]-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzoic acid?
The IUPAC name of 2-[(4-fluorophenyl)methoxy]-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzoic acid (CID 67106893) is 2-[(4-fluorophenyl)methoxy]-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzoic acid.
What is the SMILES notation for 2-[(4-fluorophenyl)methoxy]-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzoic acid?
The canonical SMILES for 2-[(4-fluorophenyl)methoxy]-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzoic acid is O=C(O)c1cc(-c2cnn(CCN3CCOCC3)c2)ccc1OCc1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methoxy]-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzoic acid?
The InChIKey is KBZDUIWUFKYCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O4/c24-20-4-1-17(2-5-20)16-31-22-6-3-18(13-21(22)23(28)29)19-14-25-27(15-19)8-7-26-9-11-30-12-10-26/h1-6,13-15H,7-12,16H2,(H,28,29).
What are the key properties of 2-[(4-fluorophenyl)methoxy]-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzoic acid?
2-[(4-fluorophenyl)methoxy]-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzoic acid has a molecular weight of 425.46 g/mol, XLogP of 3.30, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methoxy]-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzoic acid is sourced from PubChem (CID 67106893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).