5-[3-(difluoromethoxy)phenyl]-1-ethyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide

C23H24F2N4O3 — CID 71087303

IUPAC5-[3-(difluoromethoxy)phenyl]-1-ethyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide
SMILESCCn1nc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)cc1-c1cccc(OC(F)F)c1
InChIInChI=1S/C23H24F2N4O3/c1-2-29-20(16-4-3-5-18(12-16)32-23(24)25)13-19(28-29)22(30)27-17-8-6-15(7-9-17)21-14-26-10-11-31-21/h3-9,12-13,21,23,26H,2,10-11,14H2,1H3,(H,27,30)/t21-/m1/s1
InChIKeyXNHXBRRFNDTIMS-OAQYLSRUSA-N
MW442.47 g/mol
LogP4.08
Rot. Bonds7

About 5-[3-(difluoromethoxy)phenyl]-1-ethyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide

5-[3-(difluoromethoxy)phenyl]-1-ethyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide (PubChem CID 71087303) has the molecular formula C23H24F2N4O3 and a molecular weight of 442.47 g/mol. Its IUPAC name is 5-[3-(difluoromethoxy)phenyl]-1-ethyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[3-(difluoromethoxy)phenyl]-1-ethyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide
PubChem CID71087303
Molecular FormulaC23H24F2N4O3
Molecular Weight442.47 g/mol
Exact Mass442.18
IUPAC Name5-[3-(difluoromethoxy)phenyl]-1-ethyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide
SMILESCCn1nc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)cc1-c1cccc(OC(F)F)c1
InChIInChI=1S/C23H24F2N4O3/c1-2-29-20(16-4-3-5-18(12-16)32-23(24)25)13-19(28-29)22(30)27-17-8-6-15(7-9-17)21-14-26-10-11-31-21/h3-9,12-13,21,23,26H,2,10-11,14H2,1H3,(H,27,30)/t21-/m1/s1
InChIKeyXNHXBRRFNDTIMS-OAQYLSRUSA-N
XLogP4.08
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.47
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(2-Methyl-2H-pyrazol-3-yl)-4-(2-morpholin-4-yl-ethoxy)-phenyl]-3-trifluoromethyl-benzamide
CID 46833075
N-(1-{2-[(dimethylamino)methyl]phenyl}piperidin-4-yl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 23648157
1-(4-methoxyphenyl)-N-{1-[2-(morpholin-4-ylmethyl)phenyl]piperidin-4-yl}-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 23648159
N-[3-(2-Methyl-2H-pyrazol-3-yl)-4-(2-morpholin-4-yl-ethoxy)-phenyl]-4-trifluoromethyl-benzamide
CID 11503810
4-Fluoro-N-[3-(2-methyl-2H-pyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)-phenyl]-benzamide
CID 11531941
3-Fluoro-N-[3-(2-methyl-2H-pyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)-phenyl]-benzamide
CID 11553617
Benzamide, 3-methoxy-N-[3-(1-methyl-1H-pyrazol-5-yl)-4-[2-(4-morpholinyl)ethoxy]phenyl]-
CID 11604525
N-{4-[2-(4-Acetylpiperazin-1-yl)ethoxy]-3-(1-methyl-1H-pyrazol-5-yl)phenyl}-3-fluorobenzamide
CID 11655664
N-{4-[2-(4-Acetylpiperazin-1-yl)ethoxy]-3-(1-methyl-1H-pyrazol-5-yl)phenyl}-3-methoxybenzamide
CID 11698617
(S)-2-amino-N-(3-(5-(5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzyl)propanamide
CID 44574265
2,4-Difluoro-N-[3-(2-Methyl-2H-pyrazol-3-yl)-4-(2-morpholin-4-yl-ethoxy)-phenyl]-benzamide
CID 46833073
3,4-Difluoro-N-[3-(2-methyl-2H-pyrazol-3-yl)-4-(2-morpholin-4-yl-ethoxy)-phenyl]-benzamide
CID 46833076

Frequently Asked Questions

What is the IUPAC name of 5-[3-(difluoromethoxy)phenyl]-1-ethyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide?
The IUPAC name of 5-[3-(difluoromethoxy)phenyl]-1-ethyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide (CID 71087303) is 5-[3-(difluoromethoxy)phenyl]-1-ethyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 5-[3-(difluoromethoxy)phenyl]-1-ethyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 5-[3-(difluoromethoxy)phenyl]-1-ethyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide is CCn1nc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)cc1-c1cccc(OC(F)F)c1.
What is the InChIKey of 5-[3-(difluoromethoxy)phenyl]-1-ethyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide?
The InChIKey is XNHXBRRFNDTIMS-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H24F2N4O3/c1-2-29-20(16-4-3-5-18(12-16)32-23(24)25)13-19(28-29)22(30)27-17-8-6-15(7-9-17)21-14-26-10-11-31-21/h3-9,12-13,21,23,26H,2,10-11,14H2,1H3,(H,27,30)/t21-/m1/s1.
What are the key properties of 5-[3-(difluoromethoxy)phenyl]-1-ethyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide?
5-[3-(difluoromethoxy)phenyl]-1-ethyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide has a molecular weight of 442.47 g/mol, XLogP of 4.08, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(difluoromethoxy)phenyl]-1-ethyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 71087303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).