N-[(1R)-1-(furan-2-yl)ethyl]-4-(5-methylpyrazol-1-yl)benzamide

C17H17N3O2 — CID 9482283

IUPACN-[(1R)-1-(furan-2-yl)ethyl]-4-(5-methylpyrazol-1-yl)benzamide
SMILESCc1ccnn1-c1ccc(C(=O)N[C@H](C)c2ccco2)cc1
InChIInChI=1S/C17H17N3O2/c1-12-9-10-18-20(12)15-7-5-14(6-8-15)17(21)19-13(2)16-4-3-11-22-16/h3-11,13H,1-2H3,(H,19,21)/t13-/m1/s1
InChIKeyFVVYJLKUKYWILV-CYBMUJFWSA-N
MW295.34 g/mol
LogP3.26
Rot. Bonds4

About N-[(1R)-1-(furan-2-yl)ethyl]-4-(5-methylpyrazol-1-yl)benzamide

N-[(1R)-1-(furan-2-yl)ethyl]-4-(5-methylpyrazol-1-yl)benzamide (PubChem CID 9482283) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-[(1R)-1-(furan-2-yl)ethyl]-4-(5-methylpyrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[(1R)-1-(furan-2-yl)ethyl]-4-(5-methylpyrazol-1-yl)benzamide
PubChem CID9482283
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC NameN-[(1R)-1-(furan-2-yl)ethyl]-4-(5-methylpyrazol-1-yl)benzamide
SMILESCc1ccnn1-c1ccc(C(=O)N[C@H](C)c2ccco2)cc1
InChIInChI=1S/C17H17N3O2/c1-12-9-10-18-20(12)15-7-5-14(6-8-15)17(21)19-13(2)16-4-3-11-22-16/h3-11,13H,1-2H3,(H,19,21)/t13-/m1/s1
InChIKeyFVVYJLKUKYWILV-CYBMUJFWSA-N
XLogP3.26
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-(4-bromophenyl)ethyl]-4-(5-methylpyrazol-1-yl)benzamide
CID 9185649
N-[(1R)-1-(furan-2-yl)ethyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 42102024
4-cyano-N-[(1R)-1-(furan-2-yl)ethyl]benzamide
CID 9481732
3,4-dichloro-N-[(1S)-1-(furan-2-yl)ethyl]benzamide
CID 7995956
N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-(5-methylpyrazol-1-yl)benzamide
CID 31367915
N-[1-(furan-2-yl)ethyl]-3-hydroxy-4-methylbenzamide
CID 43402437
4-(ethylamino)-N-[1-(furan-2-yl)ethyl]benzamide
CID 62169194
N-[(1R)-2-(dimethylamino)-1-phenylethyl]-4-(5-methylpyrazol-1-yl)benzamide
CID 8938193
N-[(1S)-2-(dimethylamino)-1-phenylethyl]-4-(5-methylpyrazol-1-yl)benzamide
CID 8938195
N-[1-(furan-2-yl)ethyl]-2-(methylamino)pyridine-4-carboxamide
CID 62168505
4-(difluoromethylsulfonyl)-N-[(1S)-1-(furan-2-yl)ethyl]benzamide
CID 8856828
N-[(1S)-1-(furan-2-yl)ethyl]-4-(trifluoromethoxy)benzamide
CID 9482027

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(furan-2-yl)ethyl]-4-(5-methylpyrazol-1-yl)benzamide?
The IUPAC name of N-[(1R)-1-(furan-2-yl)ethyl]-4-(5-methylpyrazol-1-yl)benzamide (CID 9482283) is N-[(1R)-1-(furan-2-yl)ethyl]-4-(5-methylpyrazol-1-yl)benzamide.
What is the SMILES notation for N-[(1R)-1-(furan-2-yl)ethyl]-4-(5-methylpyrazol-1-yl)benzamide?
The canonical SMILES for N-[(1R)-1-(furan-2-yl)ethyl]-4-(5-methylpyrazol-1-yl)benzamide is Cc1ccnn1-c1ccc(C(=O)N[C@H](C)c2ccco2)cc1.
What is the InChIKey of N-[(1R)-1-(furan-2-yl)ethyl]-4-(5-methylpyrazol-1-yl)benzamide?
The InChIKey is FVVYJLKUKYWILV-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-12-9-10-18-20(12)15-7-5-14(6-8-15)17(21)19-13(2)16-4-3-11-22-16/h3-11,13H,1-2H3,(H,19,21)/t13-/m1/s1.
What are the key properties of N-[(1R)-1-(furan-2-yl)ethyl]-4-(5-methylpyrazol-1-yl)benzamide?
N-[(1R)-1-(furan-2-yl)ethyl]-4-(5-methylpyrazol-1-yl)benzamide has a molecular weight of 295.34 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(furan-2-yl)ethyl]-4-(5-methylpyrazol-1-yl)benzamide is sourced from PubChem (CID 9482283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).