5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-phenylfuran-2-carboxamide

C17H16ClN3O2 — CID 19448398

IUPAC5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-phenylfuran-2-carboxamide
SMILESCc1nn(Cc2ccc(C(=O)Nc3ccccc3)o2)c(C)c1Cl
InChIInChI=1S/C17H16ClN3O2/c1-11-16(18)12(2)21(20-11)10-14-8-9-15(23-14)17(22)19-13-6-4-3-5-7-13/h3-9H,10H2,1-2H3,(H,19,22)
InChIKeyDQNVFZAHPUCIQK-UHFFFAOYSA-N
MW329.79 g/mol
LogP4.05
Rot. Bonds4

About 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-phenylfuran-2-carboxamide

5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-phenylfuran-2-carboxamide (PubChem CID 19448398) has the molecular formula C17H16ClN3O2 and a molecular weight of 329.79 g/mol. Its IUPAC name is 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-phenylfuran-2-carboxamide.

Molecular Properties

Compound Name5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-phenylfuran-2-carboxamide
PubChem CID19448398
Molecular FormulaC17H16ClN3O2
Molecular Weight329.79 g/mol
Exact Mass329.09
IUPAC Name5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-phenylfuran-2-carboxamide
SMILESCc1nn(Cc2ccc(C(=O)Nc3ccccc3)o2)c(C)c1Cl
InChIInChI=1S/C17H16ClN3O2/c1-11-16(18)12(2)21(20-11)10-14-8-9-15(23-14)17(22)19-13-6-4-3-5-7-13/h3-9H,10H2,1-2H3,(H,19,22)
InChIKeyDQNVFZAHPUCIQK-UHFFFAOYSA-N
XLogP4.05
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(1-methylbenzimidazol-2-yl)furan-2-carboxamide
CID 19448372
5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[4-(2-nitrophenyl)phenyl]furan-2-carboxamide
CID 19617378
propyl 4-[[5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]amino]benzoate
CID 3367349
5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(2,5-dimethylphenyl)furan-2-carboxamide
CID 1019574
5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]furan-2-carboxamide
CID 19448414
5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(1-ethylbenzimidazol-2-yl)furan-2-carboxamide
CID 19579294
5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(2-methylphenoxy)-5-nitrophenyl]furan-2-carboxamide
CID 19448450
5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(2,6-dibromo-4-nitrophenyl)furan-2-carboxamide
CID 19448346
5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]furan-2-carboxamide
CID 4169758
5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-fluorophenyl)methylideneamino]furan-2-carboxamide
CID 1009184
5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]furan-2-carboxamide
CID 19448558
5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]furan-2-carboxamide
CID 19448496

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-phenylfuran-2-carboxamide?
The IUPAC name of 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-phenylfuran-2-carboxamide (CID 19448398) is 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-phenylfuran-2-carboxamide.
What is the SMILES notation for 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-phenylfuran-2-carboxamide?
The canonical SMILES for 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-phenylfuran-2-carboxamide is Cc1nn(Cc2ccc(C(=O)Nc3ccccc3)o2)c(C)c1Cl.
What is the InChIKey of 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-phenylfuran-2-carboxamide?
The InChIKey is DQNVFZAHPUCIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O2/c1-11-16(18)12(2)21(20-11)10-14-8-9-15(23-14)17(22)19-13-6-4-3-5-7-13/h3-9H,10H2,1-2H3,(H,19,22).
What are the key properties of 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-phenylfuran-2-carboxamide?
5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-phenylfuran-2-carboxamide has a molecular weight of 329.79 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-phenylfuran-2-carboxamide is sourced from PubChem (CID 19448398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).