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

C17H17N3O2 — CID 19466078

IUPAC5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-phenylfuran-2-carboxamide
SMILESCc1cc(C)n(Cc2ccc(C(=O)Nc3ccccc3)o2)n1
InChIInChI=1S/C17H17N3O2/c1-12-10-13(2)20(19-12)11-15-8-9-16(22-15)17(21)18-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H,18,21)
InChIKeyUQVOPKVDFSCCAX-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.39
Rot. Bonds4

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

5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-phenylfuran-2-carboxamide (PubChem CID 19466078) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-phenylfuran-2-carboxamide.

Molecular Properties

Compound Name5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-phenylfuran-2-carboxamide
PubChem CID19466078
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-phenylfuran-2-carboxamide
SMILESCc1cc(C)n(Cc2ccc(C(=O)Nc3ccccc3)o2)n1
InChIInChI=1S/C17H17N3O2/c1-12-10-13(2)20(19-12)11-15-8-9-16(22-15)17(21)18-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H,18,21)
InChIKeyUQVOPKVDFSCCAX-UHFFFAOYSA-N
XLogP3.39
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 ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-bromopyrazol-1-yl)methyl]-N-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 1022956
5-((3,5-Dimethyl-1H-pyrazol-1-yl)methyl)furan-2-carbohydrazide
CID 914321
5-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furohydrazide
CID 931585
N-(4-bromo-2-methylphenyl)-5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide
CID 1017805
5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furoic acid
CID 658387
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]furan-2-carboxamide
CID 6499777
n-(3-(3,5-Dimethyl-1h-pyrazol-1-yl)propyl)furan-2-carboxamide
CID 19293679
5-[(3,5-Dimethyl-1H-pyrazol-1-YL)methyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide
CID 20876955
N-[3-(3,5-Dimethyl-1H-pyrazol-1-yl)propyl]-5-methyl-2-furancarboxamide
CID 25162249
[5-[(3,5-Dimethyl-4-nitropyrazol-1-yl)methyl]furan-2-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 998489
N-(2-furylmethyl)-5-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-2-furamide
CID 1091759
5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-(3-ethylphenyl)-2-furamide
CID 1224519

Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-phenylfuran-2-carboxamide?
The IUPAC name of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-phenylfuran-2-carboxamide (CID 19466078) is 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-phenylfuran-2-carboxamide.
What is the SMILES notation for 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-phenylfuran-2-carboxamide?
The canonical SMILES for 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-phenylfuran-2-carboxamide is Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccccc3)o2)n1.
What is the InChIKey of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-phenylfuran-2-carboxamide?
The InChIKey is UQVOPKVDFSCCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-12-10-13(2)20(19-12)11-15-8-9-16(22-15)17(21)18-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H,18,21).
What are the key properties of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-phenylfuran-2-carboxamide?
5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-phenylfuran-2-carboxamide has a molecular weight of 295.34 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-phenylfuran-2-carboxamide is sourced from PubChem (CID 19466078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).