N-[(1R)-1-(furan-2-yl)ethyl]-4-(pyrazol-1-ylmethyl)benzamide

C17H17N3O2 — CID 42102024

IUPACN-[(1R)-1-(furan-2-yl)ethyl]-4-(pyrazol-1-ylmethyl)benzamide
SMILESC[C@@H](NC(=O)c1ccc(Cn2cccn2)cc1)c1ccco1
InChIInChI=1S/C17H17N3O2/c1-13(16-4-2-11-22-16)19-17(21)15-7-5-14(6-8-15)12-20-10-3-9-18-20/h2-11,13H,12H2,1H3,(H,19,21)/t13-/m1/s1
InChIKeyPWOUOXQKZPTZOY-CYBMUJFWSA-N
MW295.34 g/mol
LogP3.02
Rot. Bonds5

About N-[(1R)-1-(furan-2-yl)ethyl]-4-(pyrazol-1-ylmethyl)benzamide

N-[(1R)-1-(furan-2-yl)ethyl]-4-(pyrazol-1-ylmethyl)benzamide (PubChem CID 42102024) 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-(pyrazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[(1R)-1-(furan-2-yl)ethyl]-4-(pyrazol-1-ylmethyl)benzamide
PubChem CID42102024
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC NameN-[(1R)-1-(furan-2-yl)ethyl]-4-(pyrazol-1-ylmethyl)benzamide
SMILESC[C@@H](NC(=O)c1ccc(Cn2cccn2)cc1)c1ccco1
InChIInChI=1S/C17H17N3O2/c1-13(16-4-2-11-22-16)19-17(21)15-7-5-14(6-8-15)12-20-10-3-9-18-20/h2-11,13H,12H2,1H3,(H,19,21)/t13-/m1/s1
InChIKeyPWOUOXQKZPTZOY-CYBMUJFWSA-N
XLogP3.02
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-methylhexan-2-yl)-4-(pyrazol-1-ylmethyl)benzamide
CID 46688121
3-[[4-(pyrazol-1-ylmethyl)benzoyl]amino]butanoic acid
CID 119220723
N-(1,1-diphenylpropan-2-yl)-4-(pyrazol-1-ylmethyl)benzamide
CID 46432019
N-(2-methylpropyl)-4-(pyrazol-1-ylmethyl)benzamide
CID 18136496
N-[(1R)-1-(furan-2-yl)ethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9482225
N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 55579728
N-[(1R)-1-(furan-2-yl)ethyl]-4-(5-methylpyrazol-1-yl)benzamide
CID 9482283
4-(ethylamino)-N-[1-(furan-2-yl)ethyl]benzamide
CID 62169194
N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-4-(pyrazol-1-ylmethyl)benzamide
CID 94668085
N-(3-hydroxybutyl)-4-(pyrazol-1-ylmethyl)benzamide
CID 111429261
3,4-dichloro-N-[(1S)-1-(furan-2-yl)ethyl]benzamide
CID 7995956
4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-[(1S)-1-(furan-2-yl)ethyl]benzamide
CID 9482200

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(furan-2-yl)ethyl]-4-(pyrazol-1-ylmethyl)benzamide?
The IUPAC name of N-[(1R)-1-(furan-2-yl)ethyl]-4-(pyrazol-1-ylmethyl)benzamide (CID 42102024) is N-[(1R)-1-(furan-2-yl)ethyl]-4-(pyrazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-[(1R)-1-(furan-2-yl)ethyl]-4-(pyrazol-1-ylmethyl)benzamide?
The canonical SMILES for N-[(1R)-1-(furan-2-yl)ethyl]-4-(pyrazol-1-ylmethyl)benzamide is C[C@@H](NC(=O)c1ccc(Cn2cccn2)cc1)c1ccco1.
What is the InChIKey of N-[(1R)-1-(furan-2-yl)ethyl]-4-(pyrazol-1-ylmethyl)benzamide?
The InChIKey is PWOUOXQKZPTZOY-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-13(16-4-2-11-22-16)19-17(21)15-7-5-14(6-8-15)12-20-10-3-9-18-20/h2-11,13H,12H2,1H3,(H,19,21)/t13-/m1/s1.
What are the key properties of N-[(1R)-1-(furan-2-yl)ethyl]-4-(pyrazol-1-ylmethyl)benzamide?
N-[(1R)-1-(furan-2-yl)ethyl]-4-(pyrazol-1-ylmethyl)benzamide has a molecular weight of 295.34 g/mol, XLogP of 3.02, 5 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-(pyrazol-1-ylmethyl)benzamide is sourced from PubChem (CID 42102024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).