5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-fluoro-2-methylphenyl)furan-2-carboxamide

C18H18FN3O2 — CID 164610044

IUPAC5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-fluoro-2-methylphenyl)furan-2-carboxamide
SMILESCc1cc(C)n(Cc2ccc(C(=O)Nc3ccc(F)cc3C)o2)n1
InChIInChI=1S/C18H18FN3O2/c1-11-8-14(19)4-6-16(11)20-18(23)17-7-5-15(24-17)10-22-13(3)9-12(2)21-22/h4-9H,10H2,1-3H3,(H,20,23)
InChIKeyRWJCAJWPRMIJJL-UHFFFAOYSA-N
MW327.36 g/mol
LogP3.84
Rot. Bonds4

About 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-fluoro-2-methylphenyl)furan-2-carboxamide

5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-fluoro-2-methylphenyl)furan-2-carboxamide (PubChem CID 164610044) has the molecular formula C18H18FN3O2 and a molecular weight of 327.36 g/mol. Its IUPAC name is 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-fluoro-2-methylphenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-fluoro-2-methylphenyl)furan-2-carboxamide
PubChem CID164610044
Molecular FormulaC18H18FN3O2
Molecular Weight327.36 g/mol
Exact Mass327.14
IUPAC Name5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-fluoro-2-methylphenyl)furan-2-carboxamide
SMILESCc1cc(C)n(Cc2ccc(C(=O)Nc3ccc(F)cc3C)o2)n1
InChIInChI=1S/C18H18FN3O2/c1-11-8-14(19)4-6-16(11)20-18(23)17-7-5-15(24-17)10-22-13(3)9-12(2)21-22/h4-9H,10H2,1-3H3,(H,20,23)
InChIKeyRWJCAJWPRMIJJL-UHFFFAOYSA-N
XLogP3.84
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-bromo-1H-pyrazol-1-yl)methyl]-N-[3-(trifluoromethyl)phenyl]-2-furamide
CID 1022956
5-((3,5-Dimethyl-1H-pyrazol-1-yl)methyl)furan-2-carbohydrazide
CID 914321
N-(4-bromo-2-methylphenyl)-5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furamide
CID 1017805
N-(3-{N-[5-(1H-pyrazol-1-ylmethyl)-2-furoyl]ethanehydrazonoyl}phenyl)isonicotinamide
CID 5431606
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
N-[1-[(4-fluorophenyl)methyl]-3-pyrazolyl]-5-methyl-2-furancarboxamide
CID 841204
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
methyl 2-({5-[(4-chloro-1H-pyrazol-1-yl)methyl]-2-furoyl}amino)benzoate
CID 3153926
5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-(tert-butyl)-2-furamide
CID 3239894

Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-fluoro-2-methylphenyl)furan-2-carboxamide?
The IUPAC name of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-fluoro-2-methylphenyl)furan-2-carboxamide (CID 164610044) is 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-fluoro-2-methylphenyl)furan-2-carboxamide.
What is the SMILES notation for 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-fluoro-2-methylphenyl)furan-2-carboxamide?
The canonical SMILES for 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-fluoro-2-methylphenyl)furan-2-carboxamide is Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccc(F)cc3C)o2)n1.
What is the InChIKey of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-fluoro-2-methylphenyl)furan-2-carboxamide?
The InChIKey is RWJCAJWPRMIJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2/c1-11-8-14(19)4-6-16(11)20-18(23)17-7-5-15(24-17)10-22-13(3)9-12(2)21-22/h4-9H,10H2,1-3H3,(H,20,23).
What are the key properties of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-fluoro-2-methylphenyl)furan-2-carboxamide?
5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-fluoro-2-methylphenyl)furan-2-carboxamide has a molecular weight of 327.36 g/mol, XLogP of 3.84, 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-(4-fluoro-2-methylphenyl)furan-2-carboxamide is sourced from PubChem (CID 164610044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).