4-cyano-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]benzamide

C19H18N4O2 — CID 122265502

IUPAC4-cyano-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]benzamide
SMILESCc1cc(C)n(C(CNC(=O)c2ccc(C#N)cc2)c2ccco2)n1
InChIInChI=1S/C19H18N4O2/c1-13-10-14(2)23(22-13)17(18-4-3-9-25-18)12-21-19(24)16-7-5-15(11-20)6-8-16/h3-10,17H,12H2,1-2H3,(H,21,24)
InChIKeyMYSFCKYWUHRTJQ-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.98
Rot. Bonds5

About 4-cyano-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]benzamide

4-cyano-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]benzamide (PubChem CID 122265502) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 4-cyano-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-cyano-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]benzamide
PubChem CID122265502
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name4-cyano-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]benzamide
SMILESCc1cc(C)n(C(CNC(=O)c2ccc(C#N)cc2)c2ccco2)n1
InChIInChI=1S/C19H18N4O2/c1-13-10-14(2)23(22-13)17(18-4-3-9-25-18)12-21-19(24)16-7-5-15(11-20)6-8-16/h3-10,17H,12H2,1-2H3,(H,21,24)
InChIKeyMYSFCKYWUHRTJQ-UHFFFAOYSA-N
XLogP2.98
TPSA83.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-3,4-difluorobenzamide
CID 122244397
N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]furan-2-carboxamide
CID 122244387
N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-4-(trifluoromethoxy)benzamide
CID 122244411
3-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]benzamide
CID 122265518
N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-3-methyl-4-nitrobenzamide
CID 122265561
N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 122265668
N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-2,5-dimethylfuran-3-carboxamide
CID 122265497
N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 122265553
N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-2-methoxyacetamide
CID 122265475
N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-2-(4-fluorophenyl)acetamide
CID 122244394
N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-2-ethoxybenzamide
CID 122265531
5-cyclopropyl-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 122244410

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]benzamide?
The IUPAC name of 4-cyano-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]benzamide (CID 122265502) is 4-cyano-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]benzamide.
What is the SMILES notation for 4-cyano-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]benzamide?
The canonical SMILES for 4-cyano-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]benzamide is Cc1cc(C)n(C(CNC(=O)c2ccc(C#N)cc2)c2ccco2)n1.
What is the InChIKey of 4-cyano-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]benzamide?
The InChIKey is MYSFCKYWUHRTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-13-10-14(2)23(22-13)17(18-4-3-9-25-18)12-21-19(24)16-7-5-15(11-20)6-8-16/h3-10,17H,12H2,1-2H3,(H,21,24).
What are the key properties of 4-cyano-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]benzamide?
4-cyano-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]benzamide has a molecular weight of 334.38 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]benzamide is sourced from PubChem (CID 122265502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).