N-[1-(1-benzofuran-2-yl)ethyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide

C20H16FN3O2 — CID 46438047

IUPACN-[1-(1-benzofuran-2-yl)ethyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide
SMILESCC(NC(=O)c1ccn(-c2ccc(F)cc2)n1)c1cc2ccccc2o1
InChIInChI=1S/C20H16FN3O2/c1-13(19-12-14-4-2-3-5-18(14)26-19)22-20(25)17-10-11-24(23-17)16-8-6-15(21)7-9-16/h2-13H,1H3,(H,22,25)
InChIKeyRHPBIQDWADZELM-UHFFFAOYSA-N
MW349.37 g/mol
LogP4.25
Rot. Bonds4

About N-[1-(1-benzofuran-2-yl)ethyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide

N-[1-(1-benzofuran-2-yl)ethyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide (PubChem CID 46438047) has the molecular formula C20H16FN3O2 and a molecular weight of 349.37 g/mol. Its IUPAC name is N-[1-(1-benzofuran-2-yl)ethyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(1-benzofuran-2-yl)ethyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide
PubChem CID46438047
Molecular FormulaC20H16FN3O2
Molecular Weight349.37 g/mol
Exact Mass349.12
IUPAC NameN-[1-(1-benzofuran-2-yl)ethyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide
SMILESCC(NC(=O)c1ccn(-c2ccc(F)cc2)n1)c1cc2ccccc2o1
InChIInChI=1S/C20H16FN3O2/c1-13(19-12-14-4-2-3-5-18(14)26-19)22-20(25)17-10-11-24(23-17)16-8-6-15(21)7-9-16/h2-13H,1H3,(H,22,25)
InChIKeyRHPBIQDWADZELM-UHFFFAOYSA-N
XLogP4.25
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1-benzofuran-2-yl)ethyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 46584396
1-(4-fluorophenyl)-N-[1-(2-methoxyphenyl)ethyl]pyrazole-3-carboxamide
CID 43071731
N-[(1R)-1-(2-chlorophenyl)ethyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 38704884
N-[2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxoethyl]-4-fluorobenzamide
CID 17414778
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-fluorobenzamide
CID 9367947
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366962
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366960
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]pyrazine-2-carboxamide
CID 26007494
(E)-N-[1-(1-benzofuran-2-yl)ethyl]-3-(4-fluorophenyl)prop-2-enamide
CID 46612704
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-6-fluoropyridine-3-carboxamide
CID 95318825
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-4-morpholin-4-ylpyridine-2-carboxamide
CID 126771688
N-[1-(1-benzofuran-2-yl)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 87008411

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide?
The IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide (CID 46438047) is N-[1-(1-benzofuran-2-yl)ethyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-[1-(1-benzofuran-2-yl)ethyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide?
The canonical SMILES for N-[1-(1-benzofuran-2-yl)ethyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide is CC(NC(=O)c1ccn(-c2ccc(F)cc2)n1)c1cc2ccccc2o1.
What is the InChIKey of N-[1-(1-benzofuran-2-yl)ethyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide?
The InChIKey is RHPBIQDWADZELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O2/c1-13(19-12-14-4-2-3-5-18(14)26-19)22-20(25)17-10-11-24(23-17)16-8-6-15(21)7-9-16/h2-13H,1H3,(H,22,25).
What are the key properties of N-[1-(1-benzofuran-2-yl)ethyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide?
N-[1-(1-benzofuran-2-yl)ethyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide has a molecular weight of 349.37 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzofuran-2-yl)ethyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 46438047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).