N-(2,4-difluorophenyl)-2-[4-(3-methoxyphenyl)-3-morpholin-4-ylpyrazol-1-yl]acetamide

C22H22F2N4O3 — CID 171146388

IUPACN-(2,4-difluorophenyl)-2-[4-(3-methoxyphenyl)-3-morpholin-4-ylpyrazol-1-yl]acetamide
SMILESCOc1cccc(-c2cn(CC(=O)Nc3ccc(F)cc3F)nc2N2CCOCC2)c1
InChIInChI=1S/C22H22F2N4O3/c1-30-17-4-2-3-15(11-17)18-13-28(26-22(18)27-7-9-31-10-8-27)14-21(29)25-20-6-5-16(23)12-19(20)24/h2-6,11-13H,7-10,14H2,1H3,(H,25,29)
InChIKeyIFSDBPBQWAVRMG-UHFFFAOYSA-N
MW428.44 g/mol
LogP3.31
Rot. Bonds6

About N-(2,4-difluorophenyl)-2-[4-(3-methoxyphenyl)-3-morpholin-4-ylpyrazol-1-yl]acetamide

N-(2,4-difluorophenyl)-2-[4-(3-methoxyphenyl)-3-morpholin-4-ylpyrazol-1-yl]acetamide (PubChem CID 171146388) has the molecular formula C22H22F2N4O3 and a molecular weight of 428.44 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-[4-(3-methoxyphenyl)-3-morpholin-4-ylpyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-[4-(3-methoxyphenyl)-3-morpholin-4-ylpyrazol-1-yl]acetamide
PubChem CID171146388
Molecular FormulaC22H22F2N4O3
Molecular Weight428.44 g/mol
Exact Mass428.17
IUPAC NameN-(2,4-difluorophenyl)-2-[4-(3-methoxyphenyl)-3-morpholin-4-ylpyrazol-1-yl]acetamide
SMILESCOc1cccc(-c2cn(CC(=O)Nc3ccc(F)cc3F)nc2N2CCOCC2)c1
InChIInChI=1S/C22H22F2N4O3/c1-30-17-4-2-3-15(11-17)18-13-28(26-22(18)27-7-9-31-10-8-27)14-21(29)25-20-6-5-16(23)12-19(20)24/h2-6,11-13H,7-10,14H2,1H3,(H,25,29)
InChIKeyIFSDBPBQWAVRMG-UHFFFAOYSA-N
XLogP3.31
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.44
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 46979968
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CID 113092691
N-(3,4-dimethoxyphenyl)-2-[4-(2-methylphenyl)-3-morpholin-4-ylpyrazol-1-yl]acetamide
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CID 35040661
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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-[4-(3-methoxyphenyl)-3-morpholin-4-ylpyrazol-1-yl]acetamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-[4-(3-methoxyphenyl)-3-morpholin-4-ylpyrazol-1-yl]acetamide (CID 171146388) is N-(2,4-difluorophenyl)-2-[4-(3-methoxyphenyl)-3-morpholin-4-ylpyrazol-1-yl]acetamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-[4-(3-methoxyphenyl)-3-morpholin-4-ylpyrazol-1-yl]acetamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-[4-(3-methoxyphenyl)-3-morpholin-4-ylpyrazol-1-yl]acetamide is COc1cccc(-c2cn(CC(=O)Nc3ccc(F)cc3F)nc2N2CCOCC2)c1.
What is the InChIKey of N-(2,4-difluorophenyl)-2-[4-(3-methoxyphenyl)-3-morpholin-4-ylpyrazol-1-yl]acetamide?
The InChIKey is IFSDBPBQWAVRMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N4O3/c1-30-17-4-2-3-15(11-17)18-13-28(26-22(18)27-7-9-31-10-8-27)14-21(29)25-20-6-5-16(23)12-19(20)24/h2-6,11-13H,7-10,14H2,1H3,(H,25,29).
What are the key properties of N-(2,4-difluorophenyl)-2-[4-(3-methoxyphenyl)-3-morpholin-4-ylpyrazol-1-yl]acetamide?
N-(2,4-difluorophenyl)-2-[4-(3-methoxyphenyl)-3-morpholin-4-ylpyrazol-1-yl]acetamide has a molecular weight of 428.44 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-[4-(3-methoxyphenyl)-3-morpholin-4-ylpyrazol-1-yl]acetamide is sourced from PubChem (CID 171146388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).