1-(4-fluorophenyl)-4-[(4-fluorophenyl)methoxy]-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-3-carboxamide

C22H21F2N3O3 — CID 42109822

IUPAC1-(4-fluorophenyl)-4-[(4-fluorophenyl)methoxy]-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-3-carboxamide
SMILESO=C(NC[C@H]1CCCO1)c1nn(-c2ccc(F)cc2)cc1OCc1ccc(F)cc1
InChIInChI=1S/C22H21F2N3O3/c23-16-5-3-15(4-6-16)14-30-20-13-27(18-9-7-17(24)8-10-18)26-21(20)22(28)25-12-19-2-1-11-29-19/h3-10,13,19H,1-2,11-12,14H2,(H,25,28)/t19-/m1/s1
InChIKeyPTYKANBTWSPALT-LJQANCHMSA-N
MW413.42 g/mol
LogP3.64
Rot. Bonds7

About 1-(4-fluorophenyl)-4-[(4-fluorophenyl)methoxy]-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-3-carboxamide

1-(4-fluorophenyl)-4-[(4-fluorophenyl)methoxy]-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-3-carboxamide (PubChem CID 42109822) has the molecular formula C22H21F2N3O3 and a molecular weight of 413.42 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-[(4-fluorophenyl)methoxy]-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-[(4-fluorophenyl)methoxy]-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-3-carboxamide
PubChem CID42109822
Molecular FormulaC22H21F2N3O3
Molecular Weight413.42 g/mol
Exact Mass413.16
IUPAC Name1-(4-fluorophenyl)-4-[(4-fluorophenyl)methoxy]-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-3-carboxamide
SMILESO=C(NC[C@H]1CCCO1)c1nn(-c2ccc(F)cc2)cc1OCc1ccc(F)cc1
InChIInChI=1S/C22H21F2N3O3/c23-16-5-3-15(4-6-16)14-30-20-13-27(18-9-7-17(24)8-10-18)26-21(20)22(28)25-12-19-2-1-11-29-19/h3-10,13,19H,1-2,11-12,14H2,(H,25,28)/t19-/m1/s1
InChIKeyPTYKANBTWSPALT-LJQANCHMSA-N
XLogP3.64
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.42
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-4-carboxamide
CID 40934889
2-[(4-chlorophenyl)methoxy]-N-(oxolan-2-ylmethyl)benzamide
CID 16547670
4-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 531952
4-[(2-chlorophenoxy)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 19578710
5-chloro-1-(4-fluorophenyl)-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]pyrazole-4-carboxamide
CID 30823116
4-[4-(4-fluorophenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109206768
2-[3-[(4-fluorophenyl)methoxy]phenyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazole-4-carboxamide
CID 92996299
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 8703402
N-(oxolan-2-ylmethyl)-4-(phenoxymethyl)benzamide
CID 24684666
2-[2-(4-fluorophenyl)ethylamino]-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide
CID 109252355
1-(4-ethylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]triazole-4-carboxamide
CID 95183308
N-(oxolan-2-ylmethyl)-4-(1,2,4-triazol-1-yl)benzamide
CID 18160252

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-[(4-fluorophenyl)methoxy]-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-4-[(4-fluorophenyl)methoxy]-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-3-carboxamide (CID 42109822) is 1-(4-fluorophenyl)-4-[(4-fluorophenyl)methoxy]-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-4-[(4-fluorophenyl)methoxy]-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-4-[(4-fluorophenyl)methoxy]-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-3-carboxamide is O=C(NC[C@H]1CCCO1)c1nn(-c2ccc(F)cc2)cc1OCc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-4-[(4-fluorophenyl)methoxy]-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-3-carboxamide?
The InChIKey is PTYKANBTWSPALT-LJQANCHMSA-N. The full InChI is InChI=1S/C22H21F2N3O3/c23-16-5-3-15(4-6-16)14-30-20-13-27(18-9-7-17(24)8-10-18)26-21(20)22(28)25-12-19-2-1-11-29-19/h3-10,13,19H,1-2,11-12,14H2,(H,25,28)/t19-/m1/s1.
What are the key properties of 1-(4-fluorophenyl)-4-[(4-fluorophenyl)methoxy]-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-3-carboxamide?
1-(4-fluorophenyl)-4-[(4-fluorophenyl)methoxy]-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-3-carboxamide has a molecular weight of 413.42 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-[(4-fluorophenyl)methoxy]-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 42109822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).