N-[1-(1-benzylpyrazol-4-yl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide

C19H26N4O2 — CID 75390243

IUPACN-[1-(1-benzylpyrazol-4-yl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide
SMILESCC(NC(=O)N1CCCC(CO)C1)c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C19H26N4O2/c1-15(21-19(25)22-9-5-8-17(11-22)14-24)18-10-20-23(13-18)12-16-6-3-2-4-7-16/h2-4,6-7,10,13,15,17,24H,5,8-9,11-12,14H2,1H3,(H,21,25)
InChIKeyFZURJZOUQCMIHY-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.41
Rot. Bonds5

About N-[1-(1-benzylpyrazol-4-yl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide

N-[1-(1-benzylpyrazol-4-yl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide (PubChem CID 75390243) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[1-(1-benzylpyrazol-4-yl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(1-benzylpyrazol-4-yl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide
PubChem CID75390243
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-[1-(1-benzylpyrazol-4-yl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide
SMILESCC(NC(=O)N1CCCC(CO)C1)c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C19H26N4O2/c1-15(21-19(25)22-9-5-8-17(11-22)14-24)18-10-20-23(13-18)12-16-6-3-2-4-7-16/h2-4,6-7,10,13,15,17,24H,5,8-9,11-12,14H2,1H3,(H,21,25)
InChIKeyFZURJZOUQCMIHY-UHFFFAOYSA-N
XLogP2.41
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(hydroxymethyl)-N-[4-(pyrazol-1-ylmethyl)phenyl]piperidine-1-carboxamide
CID 53569854
3-(hydroxymethyl)-N-[2-(1-phenylpyrazol-3-yl)ethyl]piperidine-1-carboxamide
CID 53591777
1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]urea
CID 71864264
N-(1-benzylpyrazol-4-yl)-4-(2-hydroxyethyl)piperazine-1-carboxamide
CID 71916537
1-(1-Benzylpyrazol-4-yl)-3-(2-hydroxy-3-methylbutyl)urea
CID 72113027
2-(hydroxymethyl)-N-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]piperidine-1-carboxamide
CID 75434309
3-ethyl-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]morpholine-4-carboxamide
CID 75435735
(2R)-2-(hydroxymethyl)-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidine-1-carboxamide
CID 84595210
1-[2-benzyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]dec-8-yl]-3-(4-methyl-1H-pyrazol-1-yl)-1-propanone
CID 91922252
[(2R)-1-[[(2S)-2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]carbamoylamino]-3-phenylpropan-2-yl]-dimethylazanium
CID 141643474
3-{1-[(1,5-Dimethyl-1H-pyrazol-4-YL)methyl]piperidin-4-YL}-3-(oxan-4-YL)-1-(2-phenylethyl)urea
CID 91906203
N-[1-Benzyl-4-(hydroxymethyl)pyrrolidin-3-YL]-3-(4-methyl-1H-pyrazol-1-YL)propanamide
CID 110202464

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzylpyrazol-4-yl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide?
The IUPAC name of N-[1-(1-benzylpyrazol-4-yl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide (CID 75390243) is N-[1-(1-benzylpyrazol-4-yl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[1-(1-benzylpyrazol-4-yl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide?
The canonical SMILES for N-[1-(1-benzylpyrazol-4-yl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide is CC(NC(=O)N1CCCC(CO)C1)c1cnn(Cc2ccccc2)c1.
What is the InChIKey of N-[1-(1-benzylpyrazol-4-yl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide?
The InChIKey is FZURJZOUQCMIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-15(21-19(25)22-9-5-8-17(11-22)14-24)18-10-20-23(13-18)12-16-6-3-2-4-7-16/h2-4,6-7,10,13,15,17,24H,5,8-9,11-12,14H2,1H3,(H,21,25).
What are the key properties of N-[1-(1-benzylpyrazol-4-yl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide?
N-[1-(1-benzylpyrazol-4-yl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzylpyrazol-4-yl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide is sourced from PubChem (CID 75390243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).