N-[4-(2-aminoethoxy)-3-(2-methylpyrazol-3-yl)phenyl]-2-(4-fluorophenyl)-2-oxoacetamide

C20H19FN4O3 — CID 23582760

IUPACN-[4-(2-aminoethoxy)-3-(2-methylpyrazol-3-yl)phenyl]-2-(4-fluorophenyl)-2-oxoacetamide
SMILESCn1nccc1-c1cc(NC(=O)C(=O)c2ccc(F)cc2)ccc1OCCN
InChIInChI=1S/C20H19FN4O3/c1-25-17(8-10-23-25)16-12-15(6-7-18(16)28-11-9-22)24-20(27)19(26)13-2-4-14(21)5-3-13/h2-8,10,12H,9,11,22H2,1H3,(H,24,27)
InChIKeyFFRHZNYHCQFSHO-UHFFFAOYSA-N
MW382.40 g/mol
LogP2.39
Rot. Bonds7

About N-[4-(2-aminoethoxy)-3-(2-methylpyrazol-3-yl)phenyl]-2-(4-fluorophenyl)-2-oxoacetamide

N-[4-(2-aminoethoxy)-3-(2-methylpyrazol-3-yl)phenyl]-2-(4-fluorophenyl)-2-oxoacetamide (PubChem CID 23582760) has the molecular formula C20H19FN4O3 and a molecular weight of 382.40 g/mol. Its IUPAC name is N-[4-(2-aminoethoxy)-3-(2-methylpyrazol-3-yl)phenyl]-2-(4-fluorophenyl)-2-oxoacetamide.

Molecular Properties

Compound NameN-[4-(2-aminoethoxy)-3-(2-methylpyrazol-3-yl)phenyl]-2-(4-fluorophenyl)-2-oxoacetamide
PubChem CID23582760
Molecular FormulaC20H19FN4O3
Molecular Weight382.40 g/mol
Exact Mass382.14
IUPAC NameN-[4-(2-aminoethoxy)-3-(2-methylpyrazol-3-yl)phenyl]-2-(4-fluorophenyl)-2-oxoacetamide
SMILESCn1nccc1-c1cc(NC(=O)C(=O)c2ccc(F)cc2)ccc1OCCN
InChIInChI=1S/C20H19FN4O3/c1-25-17(8-10-23-25)16-12-15(6-7-18(16)28-11-9-22)24-20(27)19(26)13-2-4-14(21)5-3-13/h2-8,10,12H,9,11,22H2,1H3,(H,24,27)
InChIKeyFFRHZNYHCQFSHO-UHFFFAOYSA-N
XLogP2.39
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

Arry-371797
CID 46883775
Temanogrel
CID 25177971
[3-(2-Methyl-2H-pyrazol-3-yl)-4-(2-pyrrolidin-1-yl-ethoxy)-phenyl]-3-trifluoromethyl-benzamide
CID 11612277
1-(4-methoxyphenyl)-3-(3-(1-methyl-1H-pyrazol-5-yl)-4-(2-(piperidin-1-yl)ethoxy)phenyl)urea
CID 45486657
1-(3-fluorophenyl)-3-(3-(1-methyl-1H-pyrazol-5-yl)-4-(2-morpholinoethoxy)phenyl)urea
CID 45486658
1-(3-(1-methyl-1H-pyrazol-5-yl)-4-(2-(piperidin-1-yl)ethoxy)phenyl)-3-(3-(trifluoromethyl)phenyl)urea
CID 45486665
1-(3-fluorophenyl)-3-(3-(1-methyl-1H-pyrazol-5-yl)-4-(2-(piperidin-1-yl)ethoxy)phenyl)urea
CID 45486672
1-(4-fluorophenyl)-3-(3-(1-methyl-1H-pyrazol-5-yl)-4-(2-(piperidin-1-yl)ethoxy)phenyl)urea
CID 45486713
1-(3,5-difluorophenyl)-3-(3-(1-methyl-1H-pyrazol-5-yl)-4-(2-(piperidin-1-yl)ethoxy)phenyl)urea
CID 45486727
N-[3-(4-Chloro-2-methyl-2H-pyrazol-3-yl)-4-(2-morpholin-4-yl-ethoxy)-phenyl]-3-fluoro-benzamide
CID 46833074
N-[3-(2-Methyl-2H-pyrazol-3-yl)-4-(2-morpholin-4-yl-ethoxy)-phenyl]-3-trifluoromethyl-benzamide
CID 46833075
1-(4-(2-(diethylamino)ethoxy)-3-(1-methyl-1H-pyrazol-5-yl)phenyl)-3-(4-fluorophenyl)urea
CID 45486732

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-aminoethoxy)-3-(2-methylpyrazol-3-yl)phenyl]-2-(4-fluorophenyl)-2-oxoacetamide?
The IUPAC name of N-[4-(2-aminoethoxy)-3-(2-methylpyrazol-3-yl)phenyl]-2-(4-fluorophenyl)-2-oxoacetamide (CID 23582760) is N-[4-(2-aminoethoxy)-3-(2-methylpyrazol-3-yl)phenyl]-2-(4-fluorophenyl)-2-oxoacetamide.
What is the SMILES notation for N-[4-(2-aminoethoxy)-3-(2-methylpyrazol-3-yl)phenyl]-2-(4-fluorophenyl)-2-oxoacetamide?
The canonical SMILES for N-[4-(2-aminoethoxy)-3-(2-methylpyrazol-3-yl)phenyl]-2-(4-fluorophenyl)-2-oxoacetamide is Cn1nccc1-c1cc(NC(=O)C(=O)c2ccc(F)cc2)ccc1OCCN.
What is the InChIKey of N-[4-(2-aminoethoxy)-3-(2-methylpyrazol-3-yl)phenyl]-2-(4-fluorophenyl)-2-oxoacetamide?
The InChIKey is FFRHZNYHCQFSHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O3/c1-25-17(8-10-23-25)16-12-15(6-7-18(16)28-11-9-22)24-20(27)19(26)13-2-4-14(21)5-3-13/h2-8,10,12H,9,11,22H2,1H3,(H,24,27).
What are the key properties of N-[4-(2-aminoethoxy)-3-(2-methylpyrazol-3-yl)phenyl]-2-(4-fluorophenyl)-2-oxoacetamide?
N-[4-(2-aminoethoxy)-3-(2-methylpyrazol-3-yl)phenyl]-2-(4-fluorophenyl)-2-oxoacetamide has a molecular weight of 382.40 g/mol, XLogP of 2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-aminoethoxy)-3-(2-methylpyrazol-3-yl)phenyl]-2-(4-fluorophenyl)-2-oxoacetamide is sourced from PubChem (CID 23582760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).