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

C18H19N3O2 — CID 35274045

IUPAC2,5-dimethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]furan-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccn(Cc3ccccc3C)n2)c(C)o1
InChIInChI=1S/C18H19N3O2/c1-12-6-4-5-7-15(12)11-21-9-8-17(20-21)19-18(22)16-10-13(2)23-14(16)3/h4-10H,11H2,1-3H3,(H,19,20,22)
InChIKeyIFYCDRNMOMLTIM-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.70
Rot. Bonds4

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

2,5-dimethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]furan-3-carboxamide (PubChem CID 35274045) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 2,5-dimethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]furan-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]furan-3-carboxamide
PubChem CID35274045
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name2,5-dimethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]furan-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccn(Cc3ccccc3C)n2)c(C)o1
InChIInChI=1S/C18H19N3O2/c1-12-6-4-5-7-15(12)11-21-9-8-17(20-21)19-18(22)16-10-13(2)23-14(16)3/h4-10H,11H2,1-3H3,(H,19,20,22)
InChIKeyIFYCDRNMOMLTIM-UHFFFAOYSA-N
XLogP3.70
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dimethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19284921
2,6-difluoro-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 17088808
5-[(3,4-dimethylphenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]furan-2-carboxamide
CID 19450765
1-methyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]pyrazole-4-carboxamide
CID 19474492
4-iodo-1-methyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide
CID 19264112
4-bromo-1,3-dimethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]pyrazole-5-carboxamide
CID 19480334
4-chloro-1-methyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide
CID 1223563
5-[(4-acetylphenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]furan-2-carboxamide
CID 19284879
2-[4-[[1-[(2-methylphenyl)methyl]pyrazol-3-yl]carbamoyl]pyrazol-1-yl]acetic acid
CID 19500485
4-[(4-fluorophenoxy)methyl]-5-methyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide
CID 19445260
1-(3-acetylphenyl)-3-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]urea
CID 35274053
1-(3-chlorophenyl)-3-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]urea
CID 19405696

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]furan-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]furan-3-carboxamide (CID 35274045) is 2,5-dimethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]furan-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]furan-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]furan-3-carboxamide is Cc1cc(C(=O)Nc2ccn(Cc3ccccc3C)n2)c(C)o1.
What is the InChIKey of 2,5-dimethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]furan-3-carboxamide?
The InChIKey is IFYCDRNMOMLTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-12-6-4-5-7-15(12)11-21-9-8-17(20-21)19-18(22)16-10-13(2)23-14(16)3/h4-10H,11H2,1-3H3,(H,19,20,22).
What are the key properties of 2,5-dimethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]furan-3-carboxamide?
2,5-dimethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]furan-3-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]furan-3-carboxamide is sourced from PubChem (CID 35274045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).