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

C22H22F2N4O3 — CID 71087633

IUPAC3-[3-(difluoromethoxy)phenyl]-1-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-5-carboxamide
SMILESCn1nc(-c2cccc(OC(F)F)c2)cc1C(=O)Nc1ccc([C@H]2CNCCO2)cc1
InChIInChI=1S/C22H22F2N4O3/c1-28-19(12-18(27-28)15-3-2-4-17(11-15)31-22(23)24)21(29)26-16-7-5-14(6-8-16)20-13-25-9-10-30-20/h2-8,11-12,20,22,25H,9-10,13H2,1H3,(H,26,29)/t20-/m1/s1
InChIKeyZDXFHODTYSFKDG-HXUWFJFHSA-N
MW428.44 g/mol
LogP3.60
Rot. Bonds6

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

3-[3-(difluoromethoxy)phenyl]-1-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-5-carboxamide (PubChem CID 71087633) has the molecular formula C22H22F2N4O3 and a molecular weight of 428.44 g/mol. Its IUPAC name is 3-[3-(difluoromethoxy)phenyl]-1-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-[3-(difluoromethoxy)phenyl]-1-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-5-carboxamide
PubChem CID71087633
Molecular FormulaC22H22F2N4O3
Molecular Weight428.44 g/mol
Exact Mass428.17
IUPAC Name3-[3-(difluoromethoxy)phenyl]-1-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-5-carboxamide
SMILESCn1nc(-c2cccc(OC(F)F)c2)cc1C(=O)Nc1ccc([C@H]2CNCCO2)cc1
InChIInChI=1S/C22H22F2N4O3/c1-28-19(12-18(27-28)15-3-2-4-17(11-15)31-22(23)24)21(29)26-16-7-5-14(6-8-16)20-13-25-9-10-30-20/h2-8,11-12,20,22,25H,9-10,13H2,1H3,(H,26,29)/t20-/m1/s1
InChIKeyZDXFHODTYSFKDG-HXUWFJFHSA-N
XLogP3.60
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.44
LogP ≤ 53.60
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-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-5-carboxamide?
The IUPAC name of 3-[3-(difluoromethoxy)phenyl]-1-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-5-carboxamide (CID 71087633) is 3-[3-(difluoromethoxy)phenyl]-1-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-5-carboxamide.
What is the SMILES notation for 3-[3-(difluoromethoxy)phenyl]-1-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-5-carboxamide?
The canonical SMILES for 3-[3-(difluoromethoxy)phenyl]-1-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-5-carboxamide is Cn1nc(-c2cccc(OC(F)F)c2)cc1C(=O)Nc1ccc([C@H]2CNCCO2)cc1.
What is the InChIKey of 3-[3-(difluoromethoxy)phenyl]-1-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-5-carboxamide?
The InChIKey is ZDXFHODTYSFKDG-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H22F2N4O3/c1-28-19(12-18(27-28)15-3-2-4-17(11-15)31-22(23)24)21(29)26-16-7-5-14(6-8-16)20-13-25-9-10-30-20/h2-8,11-12,20,22,25H,9-10,13H2,1H3,(H,26,29)/t20-/m1/s1.
What are the key properties of 3-[3-(difluoromethoxy)phenyl]-1-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-5-carboxamide?
3-[3-(difluoromethoxy)phenyl]-1-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-5-carboxamide has a molecular weight of 428.44 g/mol, XLogP of 3.60, 6 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-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-5-carboxamide is sourced from PubChem (CID 71087633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).