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

C23H24F2N4O3 — CID 71087925

IUPAC3-[3-(difluoromethoxy)phenyl]-1-ethyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-5-carboxamide
SMILESCCn1nc(-c2cccc(OC(F)F)c2)cc1C(=O)Nc1ccc([C@H]2CNCCO2)cc1
InChIInChI=1S/C23H24F2N4O3/c1-2-29-20(13-19(28-29)16-4-3-5-18(12-16)32-23(24)25)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
InChIKeyHYDUZXRLQCIHJY-OAQYLSRUSA-N
MW442.47 g/mol
LogP4.08
Rot. Bonds7

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

3-[3-(difluoromethoxy)phenyl]-1-ethyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-5-carboxamide (PubChem CID 71087925) has the molecular formula C23H24F2N4O3 and a molecular weight of 442.47 g/mol. Its IUPAC name is 3-[3-(difluoromethoxy)phenyl]-1-ethyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-[3-(difluoromethoxy)phenyl]-1-ethyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-5-carboxamide
PubChem CID71087925
Molecular FormulaC23H24F2N4O3
Molecular Weight442.47 g/mol
Exact Mass442.18
IUPAC Name3-[3-(difluoromethoxy)phenyl]-1-ethyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-5-carboxamide
SMILESCCn1nc(-c2cccc(OC(F)F)c2)cc1C(=O)Nc1ccc([C@H]2CNCCO2)cc1
InChIInChI=1S/C23H24F2N4O3/c1-2-29-20(13-19(28-29)16-4-3-5-18(12-16)32-23(24)25)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
InChIKeyHYDUZXRLQCIHJY-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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Frequently Asked Questions

What is the IUPAC name of 3-[3-(difluoromethoxy)phenyl]-1-ethyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-5-carboxamide?
The IUPAC name of 3-[3-(difluoromethoxy)phenyl]-1-ethyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-5-carboxamide (CID 71087925) is 3-[3-(difluoromethoxy)phenyl]-1-ethyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-5-carboxamide.
What is the SMILES notation for 3-[3-(difluoromethoxy)phenyl]-1-ethyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-5-carboxamide?
The canonical SMILES for 3-[3-(difluoromethoxy)phenyl]-1-ethyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-5-carboxamide is CCn1nc(-c2cccc(OC(F)F)c2)cc1C(=O)Nc1ccc([C@H]2CNCCO2)cc1.
What is the InChIKey of 3-[3-(difluoromethoxy)phenyl]-1-ethyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-5-carboxamide?
The InChIKey is HYDUZXRLQCIHJY-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H24F2N4O3/c1-2-29-20(13-19(28-29)16-4-3-5-18(12-16)32-23(24)25)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 3-[3-(difluoromethoxy)phenyl]-1-ethyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-5-carboxamide?
3-[3-(difluoromethoxy)phenyl]-1-ethyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-5-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 3-[3-(difluoromethoxy)phenyl]-1-ethyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-5-carboxamide is sourced from PubChem (CID 71087925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).