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

C19H21N3O2 — CID 20876955

IUPAC5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide
SMILESCc1ccc(CNC(=O)c2ccc(Cn3nc(C)cc3C)o2)cc1
InChIInChI=1S/C19H21N3O2/c1-13-4-6-16(7-5-13)11-20-19(23)18-9-8-17(24-18)12-22-15(3)10-14(2)21-22/h4-10H,11-12H2,1-3H3,(H,20,23)
InChIKeyGROSZNYTFBVKSE-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.38
Rot. Bonds5

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

5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide (PubChem CID 20876955) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide
PubChem CID20876955
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide
SMILESCc1ccc(CNC(=O)c2ccc(Cn3nc(C)cc3C)o2)cc1
InChIInChI=1S/C19H21N3O2/c1-13-4-6-16(7-5-13)11-20-19(23)18-9-8-17(24-18)12-22-15(3)10-14(2)21-22/h4-10H,11-12H2,1-3H3,(H,20,23)
InChIKeyGROSZNYTFBVKSE-UHFFFAOYSA-N
XLogP3.38
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Furan-2-carboxamide deriv., 7
CID 44236894
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
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
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
N-[3-(3,5-Dimethyl-1H-pyrazol-1-yl)propyl]-5-methyl-2-furancarboxamide
CID 25162249
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
5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-(tert-butyl)-2-furamide
CID 3239894
3-({5-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furoyl}amino)-4-methylbenzoic acid
CID 4695206

Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide?
The IUPAC name of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide (CID 20876955) is 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide.
What is the SMILES notation for 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide?
The canonical SMILES for 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide is Cc1ccc(CNC(=O)c2ccc(Cn3nc(C)cc3C)o2)cc1.
What is the InChIKey of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide?
The InChIKey is GROSZNYTFBVKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-13-4-6-16(7-5-13)11-20-19(23)18-9-8-17(24-18)12-22-15(3)10-14(2)21-22/h4-10H,11-12H2,1-3H3,(H,20,23).
What are the key properties of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide?
5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide has a molecular weight of 323.40 g/mol, XLogP of 3.38, 5 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-methylphenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 20876955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).