N-[[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]-3-hydroxybenzamide

C19H26N4O2 — CID 56706496

IUPACN-[[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]-3-hydroxybenzamide
SMILESCCn1cc(CN2CCC(CNC(=O)c3cccc(O)c3)C2)c(C)n1
InChIInChI=1S/C19H26N4O2/c1-3-23-13-17(14(2)21-23)12-22-8-7-15(11-22)10-20-19(25)16-5-4-6-18(24)9-16/h4-6,9,13,15,24H,3,7-8,10-12H2,1-2H3,(H,20,25)
InChIKeyWYXUCPZFPSYFKL-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.17
Rot. Bonds6

About N-[[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]-3-hydroxybenzamide

N-[[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]-3-hydroxybenzamide (PubChem CID 56706496) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]-3-hydroxybenzamide.

Molecular Properties

Compound NameN-[[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]-3-hydroxybenzamide
PubChem CID56706496
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-[[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]-3-hydroxybenzamide
SMILESCCn1cc(CN2CCC(CNC(=O)c3cccc(O)c3)C2)c(C)n1
InChIInChI=1S/C19H26N4O2/c1-3-23-13-17(14(2)21-23)12-22-8-7-15(11-22)10-20-19(25)16-5-4-6-18(24)9-16/h4-6,9,13,15,24H,3,7-8,10-12H2,1-2H3,(H,20,25)
InChIKeyWYXUCPZFPSYFKL-UHFFFAOYSA-N
XLogP2.17
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]-3-hydroxybenzamide with MolForge

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Related Compounds

3-hydroxy-N-[[(3R)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]benzamide
CID 95194185
3-cyano-N-[(1-ethylpyrrolidin-3-yl)methyl]benzamide
CID 54927964
3-hydroxy-N-[[(3S)-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-yl]methyl]benzamide
CID 95190416
N-[[(3S)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-2H-benzotriazole-5-carboxamide
CID 124750984
N-[[1-[(2,5-dimethylphenyl)methyl]pyrrolidin-3-yl]methyl]-4-hydroxybenzamide
CID 56707945
2-hydroxy-N-[[(3R)-1-[(3-hydroxyphenyl)methyl]pyrrolidin-3-yl]methyl]acetamide
CID 95208561
4-ethenyl-N-[[(3R)-1-[(3-hydroxyphenyl)methyl]pyrrolidin-3-yl]methyl]benzamide
CID 95226196
4-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]-3-hydroxybenzamide
CID 103872708
N-[[(3R)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]methyl]-5-methylpyridine-3-carboxamide
CID 95211495
2-amino-N-[[(3S)-1-[(3-hydroxyphenyl)methyl]pyrrolidin-3-yl]methyl]-6-methylpyrimidine-4-carboxamide
CID 95223504
N-[[(3R)-1-[(3-hydroxyphenyl)methyl]pyrrolidin-3-yl]methyl]-2-(methylamino)benzamide
CID 95193324
3-bromo-N-[(1-ethylpiperidin-4-yl)methyl]benzamide
CID 61383553

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]-3-hydroxybenzamide?
The IUPAC name of N-[[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]-3-hydroxybenzamide (CID 56706496) is N-[[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]-3-hydroxybenzamide.
What is the SMILES notation for N-[[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]-3-hydroxybenzamide?
The canonical SMILES for N-[[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]-3-hydroxybenzamide is CCn1cc(CN2CCC(CNC(=O)c3cccc(O)c3)C2)c(C)n1.
What is the InChIKey of N-[[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]-3-hydroxybenzamide?
The InChIKey is WYXUCPZFPSYFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-3-23-13-17(14(2)21-23)12-22-8-7-15(11-22)10-20-19(25)16-5-4-6-18(24)9-16/h4-6,9,13,15,24H,3,7-8,10-12H2,1-2H3,(H,20,25).
What are the key properties of N-[[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]-3-hydroxybenzamide?
N-[[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]-3-hydroxybenzamide has a molecular weight of 342.44 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]-3-hydroxybenzamide is sourced from PubChem (CID 56706496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).