N-[1-(3-fluorophenyl)-3-phenylpyrazol-5-yl]-2,5-dimethylfuran-3-carboxamide

C22H18FN3O2 — CID 71959032

IUPACN-[1-(3-fluorophenyl)-3-phenylpyrazol-5-yl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)Nc2cc(-c3ccccc3)nn2-c2cccc(F)c2)c(C)o1
InChIInChI=1S/C22H18FN3O2/c1-14-11-19(15(2)28-14)22(27)24-21-13-20(16-7-4-3-5-8-16)25-26(21)18-10-6-9-17(23)12-18/h3-13H,1-2H3,(H,24,27)
InChIKeyHJWVVCHIOICZEN-UHFFFAOYSA-N
MW375.40 g/mol
LogP5.14
Rot. Bonds4

About N-[1-(3-fluorophenyl)-3-phenylpyrazol-5-yl]-2,5-dimethylfuran-3-carboxamide

N-[1-(3-fluorophenyl)-3-phenylpyrazol-5-yl]-2,5-dimethylfuran-3-carboxamide (PubChem CID 71959032) has the molecular formula C22H18FN3O2 and a molecular weight of 375.40 g/mol. Its IUPAC name is N-[1-(3-fluorophenyl)-3-phenylpyrazol-5-yl]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3-fluorophenyl)-3-phenylpyrazol-5-yl]-2,5-dimethylfuran-3-carboxamide
PubChem CID71959032
Molecular FormulaC22H18FN3O2
Molecular Weight375.40 g/mol
Exact Mass375.14
IUPAC NameN-[1-(3-fluorophenyl)-3-phenylpyrazol-5-yl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)Nc2cc(-c3ccccc3)nn2-c2cccc(F)c2)c(C)o1
InChIInChI=1S/C22H18FN3O2/c1-14-11-19(15(2)28-14)22(27)24-21-13-20(16-7-4-3-5-8-16)25-26(21)18-10-6-9-17(23)12-18/h3-13H,1-2H3,(H,24,27)
InChIKeyHJWVVCHIOICZEN-UHFFFAOYSA-N
XLogP5.14
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.40
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methyl-N-(1-((4-(trifluoromethyl)phenyl)methyl)-1H-indazol-3-yl)-3-furancarboxamide
CID 91844684
N-(1,3-diphenyl-1H-pyrazol-5-yl)-3-methoxybenzamide
CID 11710424
5-Amino-3-methyl-4-phenylpyrazolyl 2-methyl(3-furyl) ketone
CID 1263280
N-(1-phenyl-3-(3-methoxyphenyl)-1H-pyrazol-3-yl)benzamide
CID 11717640
N-(1-(2-fluorophenyl)-3-phenyl-1H-pyrazol-5-yl)-4-methoxybenzamide
CID 24981327
1-[2-[3,5-Bis(trifluoromethyl)phenyl]-5-(5-tert-butyl-2-methylfuran-3-yl)pyrazol-3-yl]-3-(2-cyanophenyl)urea
CID 2742776
1-[2-[3,5-Bis(trifluoromethyl)phenyl]-5-(5-tert-butyl-2-methylfuran-3-yl)pyrazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 2742777
2-Cyano-N-(5-methyl-2-phenyl-2H-pyrazol-3-yl)-3-(5-p-tolyl-furan-2-yl)-acrylamide
CID 1554430
(E)-2-cyano-N-(5-methyl-2-phenylpyrazol-3-yl)-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enamide
CID 1527403
N-[1-[3,5-bis(trifluoromethyl)phenyl]-3-(5-tert-butyl-2-methylfuran-3-yl)pyrazol-5-yl]-5-(4-chlorophenyl)-2-methylfuran-3-carboxamide
CID 2742775
5-(4-chlorophenyl)-N-[3-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-5-yl]-2-methylfuran-3-carboxamide
CID 2742779
N-(2,5-dimethylpyrazol-3-yl)-2,5-dimethylfuran-3-carboxamide
CID 2811734

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluorophenyl)-3-phenylpyrazol-5-yl]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-[1-(3-fluorophenyl)-3-phenylpyrazol-5-yl]-2,5-dimethylfuran-3-carboxamide (CID 71959032) is N-[1-(3-fluorophenyl)-3-phenylpyrazol-5-yl]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[1-(3-fluorophenyl)-3-phenylpyrazol-5-yl]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[1-(3-fluorophenyl)-3-phenylpyrazol-5-yl]-2,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)Nc2cc(-c3ccccc3)nn2-c2cccc(F)c2)c(C)o1.
What is the InChIKey of N-[1-(3-fluorophenyl)-3-phenylpyrazol-5-yl]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is HJWVVCHIOICZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O2/c1-14-11-19(15(2)28-14)22(27)24-21-13-20(16-7-4-3-5-8-16)25-26(21)18-10-6-9-17(23)12-18/h3-13H,1-2H3,(H,24,27).
What are the key properties of N-[1-(3-fluorophenyl)-3-phenylpyrazol-5-yl]-2,5-dimethylfuran-3-carboxamide?
N-[1-(3-fluorophenyl)-3-phenylpyrazol-5-yl]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 375.40 g/mol, XLogP of 5.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluorophenyl)-3-phenylpyrazol-5-yl]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 71959032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).