N-(3-fluorophenyl)-2-(3-morpholin-4-yl-4-phenylpyrazol-1-yl)acetamide

C21H21FN4O2 — CID 52905917

IUPACN-(3-fluorophenyl)-2-(3-morpholin-4-yl-4-phenylpyrazol-1-yl)acetamide
SMILESO=C(Cn1cc(-c2ccccc2)c(N2CCOCC2)n1)Nc1cccc(F)c1
InChIInChI=1S/C21H21FN4O2/c22-17-7-4-8-18(13-17)23-20(27)15-26-14-19(16-5-2-1-3-6-16)21(24-26)25-9-11-28-12-10-25/h1-8,13-14H,9-12,15H2,(H,23,27)
InChIKeyFSPFCVVSUHGVQV-UHFFFAOYSA-N
MW380.42 g/mol
LogP3.16
Rot. Bonds5

About N-(3-fluorophenyl)-2-(3-morpholin-4-yl-4-phenylpyrazol-1-yl)acetamide

N-(3-fluorophenyl)-2-(3-morpholin-4-yl-4-phenylpyrazol-1-yl)acetamide (PubChem CID 52905917) has the molecular formula C21H21FN4O2 and a molecular weight of 380.42 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-(3-morpholin-4-yl-4-phenylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-(3-morpholin-4-yl-4-phenylpyrazol-1-yl)acetamide
PubChem CID52905917
Molecular FormulaC21H21FN4O2
Molecular Weight380.42 g/mol
Exact Mass380.16
IUPAC NameN-(3-fluorophenyl)-2-(3-morpholin-4-yl-4-phenylpyrazol-1-yl)acetamide
SMILESO=C(Cn1cc(-c2ccccc2)c(N2CCOCC2)n1)Nc1cccc(F)c1
InChIInChI=1S/C21H21FN4O2/c22-17-7-4-8-18(13-17)23-20(27)15-26-14-19(16-5-2-1-3-6-16)21(24-26)25-9-11-28-12-10-25/h1-8,13-14H,9-12,15H2,(H,23,27)
InChIKeyFSPFCVVSUHGVQV-UHFFFAOYSA-N
XLogP3.16
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-fluorophenyl)-2-[4-(4-methylphenyl)-3-morpholin-4-ylpyrazol-1-yl]acetamide
CID 52905942
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(4-methylphenyl)-3-morpholin-4-ylpyrazol-1-yl]acetamide
CID 52905943
N-(2,4-difluorophenyl)-2-[4-(3-methoxyphenyl)-3-morpholin-4-ylpyrazol-1-yl]acetamide
CID 171146388
N-(3,4-dimethoxyphenyl)-2-[4-(2-methylphenyl)-3-morpholin-4-ylpyrazol-1-yl]acetamide
CID 52905973
N-(4-ethoxyphenyl)-2-[4-(4-methylphenyl)-3-morpholin-4-ylpyrazol-1-yl]acetamide
CID 52905928
N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 27794928
1-[2-(3-fluoroanilino)-2-oxoethyl]pyrazole-4-carboxylic acid
CID 19502590
N-[(3-chlorophenyl)methyl]-2-[4-(4-chlorophenyl)-3-morpholin-4-ylpyrazol-1-yl]acetamide
CID 50841318
N-(3-fluorophenyl)-2-(2-morpholin-4-ylethylamino)acetamide
CID 28583111
1-[2-(3-fluoroanilino)-2-oxoethyl]-N-(3-fluorophenyl)pyrazole-3-carboxamide
CID 29098002
2-(4-benzyl-1,4-diazepan-1-yl)-N-(3-fluorophenyl)acetamide
CID 16618233
4-[2-(3-fluoroanilino)-2-oxoethyl]-N-phenylpiperazine-1-carboxamide
CID 17397265

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-(3-morpholin-4-yl-4-phenylpyrazol-1-yl)acetamide?
The IUPAC name of N-(3-fluorophenyl)-2-(3-morpholin-4-yl-4-phenylpyrazol-1-yl)acetamide (CID 52905917) is N-(3-fluorophenyl)-2-(3-morpholin-4-yl-4-phenylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-(3-morpholin-4-yl-4-phenylpyrazol-1-yl)acetamide?
The canonical SMILES for N-(3-fluorophenyl)-2-(3-morpholin-4-yl-4-phenylpyrazol-1-yl)acetamide is O=C(Cn1cc(-c2ccccc2)c(N2CCOCC2)n1)Nc1cccc(F)c1.
What is the InChIKey of N-(3-fluorophenyl)-2-(3-morpholin-4-yl-4-phenylpyrazol-1-yl)acetamide?
The InChIKey is FSPFCVVSUHGVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2/c22-17-7-4-8-18(13-17)23-20(27)15-26-14-19(16-5-2-1-3-6-16)21(24-26)25-9-11-28-12-10-25/h1-8,13-14H,9-12,15H2,(H,23,27).
What are the key properties of N-(3-fluorophenyl)-2-(3-morpholin-4-yl-4-phenylpyrazol-1-yl)acetamide?
N-(3-fluorophenyl)-2-(3-morpholin-4-yl-4-phenylpyrazol-1-yl)acetamide has a molecular weight of 380.42 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-(3-morpholin-4-yl-4-phenylpyrazol-1-yl)acetamide is sourced from PubChem (CID 52905917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).