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

C19H21N3O3 — CID 1225772

IUPAC5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(2-methoxy-5-methylphenyl)furan-2-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1ccc(Cn2nc(C)cc2C)o1
InChIInChI=1S/C19H21N3O3/c1-12-5-7-17(24-4)16(9-12)20-19(23)18-8-6-15(25-18)11-22-14(3)10-13(2)21-22/h5-10H,11H2,1-4H3,(H,20,23)
InChIKeyNHZVZJOQMVGYPS-UHFFFAOYSA-N
MW339.40 g/mol
LogP3.71
Rot. Bonds5

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

5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(2-methoxy-5-methylphenyl)furan-2-carboxamide (PubChem CID 1225772) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(2-methoxy-5-methylphenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(2-methoxy-5-methylphenyl)furan-2-carboxamide
PubChem CID1225772
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(2-methoxy-5-methylphenyl)furan-2-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1ccc(Cn2nc(C)cc2C)o1
InChIInChI=1S/C19H21N3O3/c1-12-5-7-17(24-4)16(9-12)20-19(23)18-8-6-15(25-18)11-22-14(3)10-13(2)21-22/h5-10H,11H2,1-4H3,(H,20,23)
InChIKeyNHZVZJOQMVGYPS-UHFFFAOYSA-N
XLogP3.71
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-bromopyrazol-1-yl)methyl]-N-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 1022956
N-(4-bromo-2-methylphenyl)-5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide
CID 1017805
N-(3-{N-[5-(1H-pyrazol-1-ylmethyl)-2-furoyl]ethanehydrazonoyl}phenyl)isonicotinamide
CID 5431606
5-[(3,5-Dimethyl-1H-pyrazol-1-YL)methyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide
CID 20876955
2-butyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,3-benzoxazole-5-carboxamide
CID 24790749
2-butyl-N-[1-(1-methyl-1H-pyrazol-4-yl)ethyl]-1,3-benzoxazole-5-carboxamide
CID 24794231
N-[3-(3,5-Dimethyl-1H-pyrazol-1-yl)propyl]-5-methyl-2-furancarboxamide
CID 25162249
5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-(3-ethylphenyl)-2-furamide
CID 1224519
N-[3,5-dimethyl-1-(2,3,4,5,6-pentafluorobenzyl)-1H-pyrazol-4-yl]-5-({2-nitro-4-methylphenoxy}methyl)-2-furamide
CID 4161838
3-({5-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furoyl}amino)-4-methylbenzoic acid
CID 4695206
N-[3-(N-{5-[(4-bromo-1H-pyrazol-1-yl)methyl]-2-furoyl}ethanehydrazonoyl)phenyl]-2-methylpropanamide
CID 9617645
N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-3,5-dimethyl-2-furamide
CID 24791124

Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(2-methoxy-5-methylphenyl)furan-2-carboxamide?
The IUPAC name of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(2-methoxy-5-methylphenyl)furan-2-carboxamide (CID 1225772) is 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(2-methoxy-5-methylphenyl)furan-2-carboxamide.
What is the SMILES notation for 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(2-methoxy-5-methylphenyl)furan-2-carboxamide?
The canonical SMILES for 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(2-methoxy-5-methylphenyl)furan-2-carboxamide is COc1ccc(C)cc1NC(=O)c1ccc(Cn2nc(C)cc2C)o1.
What is the InChIKey of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(2-methoxy-5-methylphenyl)furan-2-carboxamide?
The InChIKey is NHZVZJOQMVGYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-12-5-7-17(24-4)16(9-12)20-19(23)18-8-6-15(25-18)11-22-14(3)10-13(2)21-22/h5-10H,11H2,1-4H3,(H,20,23).
What are the key properties of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(2-methoxy-5-methylphenyl)furan-2-carboxamide?
5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(2-methoxy-5-methylphenyl)furan-2-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(2-methoxy-5-methylphenyl)furan-2-carboxamide is sourced from PubChem (CID 1225772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).