N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide

C27H27FN4O3 — CID 55958899

IUPACN-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide
SMILESCOc1ccc(CN2CCC(NC(=O)c3cc(-c4ccco4)nn3-c3ccccc3)CC2)cc1F
InChIInChI=1S/C27H27FN4O3/c1-34-25-10-9-19(16-22(25)28)18-31-13-11-20(12-14-31)29-27(33)24-17-23(26-8-5-15-35-26)30-32(24)21-6-3-2-4-7-21/h2-10,15-17,20H,11-14,18H2,1H3,(H,29,33)
InChIKeyZTTYSMFVLBPPQW-UHFFFAOYSA-N
MW474.54 g/mol
LogP4.67
Rot. Bonds7

About N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide

N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide (PubChem CID 55958899) has the molecular formula C27H27FN4O3 and a molecular weight of 474.54 g/mol. Its IUPAC name is N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide
PubChem CID55958899
Molecular FormulaC27H27FN4O3
Molecular Weight474.54 g/mol
Exact Mass474.21
IUPAC NameN-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide
SMILESCOc1ccc(CN2CCC(NC(=O)c3cc(-c4ccco4)nn3-c3ccccc3)CC2)cc1F
InChIInChI=1S/C27H27FN4O3/c1-34-25-10-9-19(16-22(25)28)18-31-13-11-20(12-14-31)29-27(33)24-17-23(26-8-5-15-35-26)30-32(24)21-6-3-2-4-7-21/h2-10,15-17,20H,11-14,18H2,1H3,(H,29,33)
InChIKeyZTTYSMFVLBPPQW-UHFFFAOYSA-N
XLogP4.67
TPSA72.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.54
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-6-oxo-1-phenylpyridazine-3-carboxamide
CID 55958775
N-(4-aminocyclohexyl)-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide;hydrochloride
CID 119474454
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-4-(5-methylpyrazol-1-yl)benzamide
CID 55957745
N-cyclohexyl-1-(4-fluorophenyl)-3-(furan-2-yl)pyrazole-5-carboxamide
CID 42762263
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 55957237
N-(1-benzylpiperidin-4-yl)-3-(3-methoxyphenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide
CID 3882518
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide
CID 119455183
3-(furan-2-yl)-N-[3-(4-methylpiperidin-1-yl)propyl]-1-phenylpyrazole-5-carboxamide
CID 18270649
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-7-methoxy-4-oxochromene-2-carboxamide
CID 11633561
2-benzamido-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]benzamide
CID 55959028
1-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine;hydroiodide
CID 110054867
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide
CID 46535384

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide?
The IUPAC name of N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide (CID 55958899) is N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide.
What is the SMILES notation for N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide?
The canonical SMILES for N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide is COc1ccc(CN2CCC(NC(=O)c3cc(-c4ccco4)nn3-c3ccccc3)CC2)cc1F.
What is the InChIKey of N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide?
The InChIKey is ZTTYSMFVLBPPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FN4O3/c1-34-25-10-9-19(16-22(25)28)18-31-13-11-20(12-14-31)29-27(33)24-17-23(26-8-5-15-35-26)30-32(24)21-6-3-2-4-7-21/h2-10,15-17,20H,11-14,18H2,1H3,(H,29,33).
What are the key properties of N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide?
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide has a molecular weight of 474.54 g/mol, XLogP of 4.67, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide is sourced from PubChem (CID 55958899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).