N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide

C25H26N4O2 — CID 8755862

IUPACN-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide
SMILESCc1ccc(-n2nc(C)c(NC(=O)CN[C@@H](c3ccccc3)c3ccco3)c2C)cc1
InChIInChI=1S/C25H26N4O2/c1-17-11-13-21(14-12-17)29-19(3)24(18(2)28-29)27-23(30)16-26-25(22-10-7-15-31-22)20-8-5-4-6-9-20/h4-15,25-26H,16H2,1-3H3,(H,27,30)/t25-/m0/s1
InChIKeySTXBKEWOCRNUGC-VWLOTQADSA-N
MW414.51 g/mol
LogP4.71
Rot. Bonds7

About N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide

N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide (PubChem CID 8755862) has the molecular formula C25H26N4O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide
PubChem CID8755862
Molecular FormulaC25H26N4O2
Molecular Weight414.51 g/mol
Exact Mass414.21
IUPAC NameN-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide
SMILESCc1ccc(-n2nc(C)c(NC(=O)CN[C@@H](c3ccccc3)c3ccco3)c2C)cc1
InChIInChI=1S/C25H26N4O2/c1-17-11-13-21(14-12-17)29-19(3)24(18(2)28-29)27-23(30)16-26-25(22-10-7-15-31-22)20-8-5-4-6-9-20/h4-15,25-26H,16H2,1-3H3,(H,27,30)/t25-/m0/s1
InChIKeySTXBKEWOCRNUGC-VWLOTQADSA-N
XLogP4.71
TPSA72.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-[[(R)-furan-2-yl(phenyl)methyl]amino]acetamide
CID 8755864
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9392246
2-benzhydrylsulfanyl-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]acetamide
CID 24659414
N-(2,6-dichlorophenyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]acetamide
CID 8696128
N-(2,4-dimethylphenyl)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide
CID 8696064
N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(4-phenylphenyl)acetamide
CID 24659529
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(4-methylphenyl)sulfanylacetamide
CID 16528207
N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-phenoxyacetamide
CID 42989450
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(furan-2-ylmethylsulfanyl)acetamide
CID 112780903
N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-[[4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 24587232
2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-(methylcarbamoyl)acetamide
CID 8755288
N-(2,3-dimethyl-6-nitrophenyl)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide
CID 8755838

Frequently Asked Questions

What is the IUPAC name of N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide?
The IUPAC name of N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide (CID 8755862) is N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide.
What is the SMILES notation for N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide?
The canonical SMILES for N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide is Cc1ccc(-n2nc(C)c(NC(=O)CN[C@@H](c3ccccc3)c3ccco3)c2C)cc1.
What is the InChIKey of N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide?
The InChIKey is STXBKEWOCRNUGC-VWLOTQADSA-N. The full InChI is InChI=1S/C25H26N4O2/c1-17-11-13-21(14-12-17)29-19(3)24(18(2)28-29)27-23(30)16-26-25(22-10-7-15-31-22)20-8-5-4-6-9-20/h4-15,25-26H,16H2,1-3H3,(H,27,30)/t25-/m0/s1.
What are the key properties of N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide?
N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide has a molecular weight of 414.51 g/mol, XLogP of 4.71, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide is sourced from PubChem (CID 8755862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).