4-(3-benzyl-1-ethylpyrazol-5-yl)-1-ethylpiperidine

C19H27N3 — CID 142020526

IUPAC4-(3-benzyl-1-ethylpyrazol-5-yl)-1-ethylpiperidine
SMILESCCN1CCC(c2cc(Cc3ccccc3)nn2CC)CC1
InChIInChI=1S/C19H27N3/c1-3-21-12-10-17(11-13-21)19-15-18(20-22(19)4-2)14-16-8-6-5-7-9-16/h5-9,15,17H,3-4,10-14H2,1-2H3
InChIKeyAHFWPSFBWYFWTK-UHFFFAOYSA-N
MW297.45 g/mol
LogP3.69
Rot. Bonds5

About 4-(3-benzyl-1-ethylpyrazol-5-yl)-1-ethylpiperidine

4-(3-benzyl-1-ethylpyrazol-5-yl)-1-ethylpiperidine (PubChem CID 142020526) has the molecular formula C19H27N3 and a molecular weight of 297.45 g/mol. Its IUPAC name is 4-(3-benzyl-1-ethylpyrazol-5-yl)-1-ethylpiperidine.

Molecular Properties

Compound Name4-(3-benzyl-1-ethylpyrazol-5-yl)-1-ethylpiperidine
PubChem CID142020526
Molecular FormulaC19H27N3
Molecular Weight297.45 g/mol
Exact Mass297.22
IUPAC Name4-(3-benzyl-1-ethylpyrazol-5-yl)-1-ethylpiperidine
SMILESCCN1CCC(c2cc(Cc3ccccc3)nn2CC)CC1
InChIInChI=1S/C19H27N3/c1-3-21-12-10-17(11-13-21)19-15-18(20-22(19)4-2)14-16-8-6-5-7-9-16/h5-9,15,17H,3-4,10-14H2,1-2H3
InChIKeyAHFWPSFBWYFWTK-UHFFFAOYSA-N
XLogP3.69
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.45
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[[4-(3-benzyl-1-ethylpyrazol-5-yl)piperidin-1-yl]methyl]cyclopentyl]-3-cyclopropylpropanoic acid
CID 142033806
(2R)-2-[(3S,4S)-3-[[4-(3-benzyl-1-ethylpyrazol-5-yl)piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-4-methylpentanoic acid
CID 516363
1-(cyclopentylmethyl)-4-[1-ethyl-3-[(4-methoxyphenyl)methyl]pyrazol-5-yl]piperidine
CID 142033319
4-[1-ethyl-3-[(4-phenylmethoxyphenyl)methyl]pyrazol-5-yl]piperidine
CID 18187803
(3S)-2-[3-[[4-(3-benzyl-1-ethylpyrazol-5-yl)piperidin-1-yl]methyl]pyrrolidin-1-yl]-3-cyclobutylbutanoic acid
CID 142020981
4-(3-benzyl-1-propylpyrazol-5-yl)piperidine
CID 18187520
3-[(3S,4S)-3-[[4-(3-benzyl-1-ethylpyrazol-5-yl)piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-3-methylbutanoic acid
CID 20664134
N-[(3R)-3-[[4-(3-benzyl-1-ethylpyrazol-5-yl)piperidin-1-yl]methyl]cyclopentyl]-N-methylbenzamide;prop-1-ene
CID 142032939
N-acetyl-N-[(1S)-3-[4-(3-benzyl-1-ethylpyrazol-5-yl)piperidin-1-yl]-1-phenylpropyl]azetidine-3-carboxamide
CID 23557448
2-[1-[(3S,4S)-3-[[4-(3-benzyl-1-ethylpyrazol-5-yl)piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]cyclobutyl]acetic acid
CID 70126698
2-[[(3S,4S)-3-[[4-(3-benzyl-1-ethylpyrazol-5-yl)piperidin-1-yl]methyl]-4-phenylcyclopentyl]-cyclohexylamino]acetic acid
CID 59076705
2-[3-[4-(3-benzyl-1-ethylpyrazol-5-yl)piperidin-1-yl]-4-phenylpyrrolidin-1-yl]-3-methylbutanoic acid
CID 142020698

Frequently Asked Questions

What is the IUPAC name of 4-(3-benzyl-1-ethylpyrazol-5-yl)-1-ethylpiperidine?
The IUPAC name of 4-(3-benzyl-1-ethylpyrazol-5-yl)-1-ethylpiperidine (CID 142020526) is 4-(3-benzyl-1-ethylpyrazol-5-yl)-1-ethylpiperidine.
What is the SMILES notation for 4-(3-benzyl-1-ethylpyrazol-5-yl)-1-ethylpiperidine?
The canonical SMILES for 4-(3-benzyl-1-ethylpyrazol-5-yl)-1-ethylpiperidine is CCN1CCC(c2cc(Cc3ccccc3)nn2CC)CC1.
What is the InChIKey of 4-(3-benzyl-1-ethylpyrazol-5-yl)-1-ethylpiperidine?
The InChIKey is AHFWPSFBWYFWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3/c1-3-21-12-10-17(11-13-21)19-15-18(20-22(19)4-2)14-16-8-6-5-7-9-16/h5-9,15,17H,3-4,10-14H2,1-2H3.
What are the key properties of 4-(3-benzyl-1-ethylpyrazol-5-yl)-1-ethylpiperidine?
4-(3-benzyl-1-ethylpyrazol-5-yl)-1-ethylpiperidine has a molecular weight of 297.45 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-benzyl-1-ethylpyrazol-5-yl)-1-ethylpiperidine is sourced from PubChem (CID 142020526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).