N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]-2-[furan-2-ylmethyl-(2-phenylmethoxyacetyl)amino]acetamide

C31H27FN4O4 — CID 4304447

IUPACN-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]-2-[furan-2-ylmethyl-(2-phenylmethoxyacetyl)amino]acetamide
SMILESO=C(CN(Cc1ccco1)C(=O)COCc1ccccc1)Nc1cc(-c2ccccc2)nn1-c1ccc(F)cc1
InChIInChI=1S/C31H27FN4O4/c32-25-13-15-26(16-14-25)36-29(18-28(34-36)24-10-5-2-6-11-24)33-30(37)20-35(19-27-12-7-17-40-27)31(38)22-39-21-23-8-3-1-4-9-23/h1-18H,19-22H2,(H,33,37)
InChIKeyGUWLZVWVESZMMN-UHFFFAOYSA-N
MW538.58 g/mol
LogP5.46
Rot. Bonds11

About N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]-2-[furan-2-ylmethyl-(2-phenylmethoxyacetyl)amino]acetamide

N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]-2-[furan-2-ylmethyl-(2-phenylmethoxyacetyl)amino]acetamide (PubChem CID 4304447) has the molecular formula C31H27FN4O4 and a molecular weight of 538.58 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]-2-[furan-2-ylmethyl-(2-phenylmethoxyacetyl)amino]acetamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]-2-[furan-2-ylmethyl-(2-phenylmethoxyacetyl)amino]acetamide
PubChem CID4304447
Molecular FormulaC31H27FN4O4
Molecular Weight538.58 g/mol
Exact Mass538.20
IUPAC NameN-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]-2-[furan-2-ylmethyl-(2-phenylmethoxyacetyl)amino]acetamide
SMILESO=C(CN(Cc1ccco1)C(=O)COCc1ccccc1)Nc1cc(-c2ccccc2)nn1-c1ccc(F)cc1
InChIInChI=1S/C31H27FN4O4/c32-25-13-15-26(16-14-25)36-29(18-28(34-36)24-10-5-2-6-11-24)33-30(37)20-35(19-27-12-7-17-40-27)31(38)22-39-21-23-8-3-1-4-9-23/h1-18H,19-22H2,(H,33,37)
InChIKeyGUWLZVWVESZMMN-UHFFFAOYSA-N
XLogP5.46
TPSA89.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.58
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl)-2-(2-((dimethylamino)methyl)phenoxy)acetamide
CID 24739308
N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl)-2-(4-((dimethylamino)methyl)phenoxy)acetamide
CID 24739309
N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl)-2-(3-(2-(dimethylamino)ethyl)phenoxy)acetamide
CID 24739648
N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl)-2-(3-((dimethylamino)methyl)-5-fluorophenoxy)acetamide
CID 24739814
N-(2-furylmethyl)-5-[(4-methylbenzoyl)amino]-1-phenyl-1H-pyrazole-4-carboxamide
CID 1037536
{4-[2-(3-Fluoro-phenyl)-5,6-dimethyl-pyrazolo[1,5-a]pyrimidin-7-yl]-piperazin-1-yl}-furan-2-yl-methanone
CID 1434724
N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl)-2-(3-(2-morpholinoethyl)phenoxy)acetamide
CID 24739649
N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl)-2-(3-fluoro-5-(morpholinomethyl)phenoxy)acetamide
CID 24739813
1-(furan-2-ylmethyl)-3-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)urea
CID 137066487
N-Furan-2-ylmethyl-2-(4-oxo-1-p-tolyl-1,4-dihydro-pyrazolo[3,4-d]pyrimidin-5-yl)-acetamide
CID 646968
{4-[2-(3-Fluoro-phenyl)-5-methyl-pyrazolo[1,5-a]pyrimidin-7-yl]-piperazin-1-yl}-furan-2-yl-methanone
CID 648347
5-p-Tolyl-7-trifluoromethyl-4,5,6,7-tetrahydro-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (furan-2-ylmethyl)-amide
CID 649030

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]-2-[furan-2-ylmethyl-(2-phenylmethoxyacetyl)amino]acetamide?
The IUPAC name of N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]-2-[furan-2-ylmethyl-(2-phenylmethoxyacetyl)amino]acetamide (CID 4304447) is N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]-2-[furan-2-ylmethyl-(2-phenylmethoxyacetyl)amino]acetamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]-2-[furan-2-ylmethyl-(2-phenylmethoxyacetyl)amino]acetamide?
The canonical SMILES for N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]-2-[furan-2-ylmethyl-(2-phenylmethoxyacetyl)amino]acetamide is O=C(CN(Cc1ccco1)C(=O)COCc1ccccc1)Nc1cc(-c2ccccc2)nn1-c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]-2-[furan-2-ylmethyl-(2-phenylmethoxyacetyl)amino]acetamide?
The InChIKey is GUWLZVWVESZMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27FN4O4/c32-25-13-15-26(16-14-25)36-29(18-28(34-36)24-10-5-2-6-11-24)33-30(37)20-35(19-27-12-7-17-40-27)31(38)22-39-21-23-8-3-1-4-9-23/h1-18H,19-22H2,(H,33,37).
What are the key properties of N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]-2-[furan-2-ylmethyl-(2-phenylmethoxyacetyl)amino]acetamide?
N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]-2-[furan-2-ylmethyl-(2-phenylmethoxyacetyl)amino]acetamide has a molecular weight of 538.58 g/mol, XLogP of 5.46, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]-2-[furan-2-ylmethyl-(2-phenylmethoxyacetyl)amino]acetamide is sourced from PubChem (CID 4304447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).