N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]-2-[(2-phenoxyacetyl)-propylamino]acetamide

C28H27FN4O3 — CID 1062374

IUPACN-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]-2-[(2-phenoxyacetyl)-propylamino]acetamide
SMILESCCCN(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccc(F)cc1)C(=O)COc1ccccc1
InChIInChI=1S/C28H27FN4O3/c1-2-17-32(28(35)20-36-24-11-7-4-8-12-24)19-27(34)30-26-18-25(21-9-5-3-6-10-21)31-33(26)23-15-13-22(29)14-16-23/h3-16,18H,2,17,19-20H2,1H3,(H,30,34)
InChIKeyBXJLSUPRKUVUDQ-UHFFFAOYSA-N
MW486.55 g/mol
LogP4.93
Rot. Bonds10

About N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]-2-[(2-phenoxyacetyl)-propylamino]acetamide

N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]-2-[(2-phenoxyacetyl)-propylamino]acetamide (PubChem CID 1062374) has the molecular formula C28H27FN4O3 and a molecular weight of 486.55 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]-2-[(2-phenoxyacetyl)-propylamino]acetamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]-2-[(2-phenoxyacetyl)-propylamino]acetamide
PubChem CID1062374
Molecular FormulaC28H27FN4O3
Molecular Weight486.55 g/mol
Exact Mass486.21
IUPAC NameN-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]-2-[(2-phenoxyacetyl)-propylamino]acetamide
SMILESCCCN(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccc(F)cc1)C(=O)COc1ccccc1
InChIInChI=1S/C28H27FN4O3/c1-2-17-32(28(35)20-36-24-11-7-4-8-12-24)19-27(34)30-26-18-25(21-9-5-3-6-10-21)31-33(26)23-15-13-22(29)14-16-23/h3-16,18H,2,17,19-20H2,1H3,(H,30,34)
InChIKeyBXJLSUPRKUVUDQ-UHFFFAOYSA-N
XLogP4.93
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.55
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)phenyl]urea
CID 10972838
N-(3-methyl-1-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazol-5-yl)-2-(p-tolyloxy)acetamide
CID 135752958
N-(5-methyl-2-phenyl-3-pyrazolyl)-2-phenoxyacetamide
CID 2310735
N-[3-[6-(4-methylpiperazino)pyridazin-3-yl]phenyl]-2-phenoxy-acetamide
CID 7593156
[2-[(5-Methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate
CID 7853842
N-(4-ethoxyphenyl)-2-(1,3,4-trimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl)acetamide
CID 16026211
2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 16026527
N-[3-(2-fluorophenyl)-1-phenyl-1H-pyrazol-5-yl]-2-(4-methoxyphenoxy)acetamide
CID 16030775
2-(2-chlorophenoxy)-N-[3-(2-fluorophenyl)-1-phenyl-1H-pyrazol-5-yl]acetamide
CID 16030777
N-[3-(2-methoxyphenyl)-1-phenyl-1H-pyrazol-5-yl]-2-phenoxybutanamide
CID 16030795
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[2-methylpropyl-(2-phenoxyacetyl)amino]acetamide
CID 42733093
US10351575, Example 13
CID 90169130

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]-2-[(2-phenoxyacetyl)-propylamino]acetamide?
The IUPAC name of N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]-2-[(2-phenoxyacetyl)-propylamino]acetamide (CID 1062374) is N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]-2-[(2-phenoxyacetyl)-propylamino]acetamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]-2-[(2-phenoxyacetyl)-propylamino]acetamide?
The canonical SMILES for N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]-2-[(2-phenoxyacetyl)-propylamino]acetamide is CCCN(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccc(F)cc1)C(=O)COc1ccccc1.
What is the InChIKey of N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]-2-[(2-phenoxyacetyl)-propylamino]acetamide?
The InChIKey is BXJLSUPRKUVUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27FN4O3/c1-2-17-32(28(35)20-36-24-11-7-4-8-12-24)19-27(34)30-26-18-25(21-9-5-3-6-10-21)31-33(26)23-15-13-22(29)14-16-23/h3-16,18H,2,17,19-20H2,1H3,(H,30,34).
What are the key properties of N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]-2-[(2-phenoxyacetyl)-propylamino]acetamide?
N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]-2-[(2-phenoxyacetyl)-propylamino]acetamide has a molecular weight of 486.55 g/mol, XLogP of 4.93, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]-2-[(2-phenoxyacetyl)-propylamino]acetamide is sourced from PubChem (CID 1062374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).