3-(4-methyl-1H-pyrazol-5-yl)-1-(2-phenylethyl)piperidine

C17H23N3 — CID 110270657

IUPAC3-(4-methyl-1H-pyrazol-5-yl)-1-(2-phenylethyl)piperidine
SMILESCc1cn[nH]c1C1CCCN(CCc2ccccc2)C1
InChIInChI=1S/C17H23N3/c1-14-12-18-19-17(14)16-8-5-10-20(13-16)11-9-15-6-3-2-4-7-15/h2-4,6-7,12,16H,5,8-11,13H2,1H3,(H,18,19)
InChIKeyUJCSQJKXWNCHFT-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.14
Rot. Bonds4

About 3-(4-methyl-1H-pyrazol-5-yl)-1-(2-phenylethyl)piperidine

3-(4-methyl-1H-pyrazol-5-yl)-1-(2-phenylethyl)piperidine (PubChem CID 110270657) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 3-(4-methyl-1H-pyrazol-5-yl)-1-(2-phenylethyl)piperidine.

Molecular Properties

Compound Name3-(4-methyl-1H-pyrazol-5-yl)-1-(2-phenylethyl)piperidine
PubChem CID110270657
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name3-(4-methyl-1H-pyrazol-5-yl)-1-(2-phenylethyl)piperidine
SMILESCc1cn[nH]c1C1CCCN(CCc2ccccc2)C1
InChIInChI=1S/C17H23N3/c1-14-12-18-19-17(14)16-8-5-10-20(13-16)11-9-15-6-3-2-4-7-15/h2-4,6-7,12,16H,5,8-11,13H2,1H3,(H,18,19)
InChIKeyUJCSQJKXWNCHFT-UHFFFAOYSA-N
XLogP3.14
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-3-phenylpropan-1-one
CID 95844950
(3R)-1-(2,2-diphenylethyl)-3-(4-methyl-1H-pyrazol-5-yl)piperidine
CID 42479587
5-[[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2-phenylpyrimidine
CID 125009924
(3R)-3-(5-methyl-1H-imidazol-2-yl)-1-(2-phenylethyl)piperidine
CID 125014452
1-ethyl-3-[5-[1-(2-phenylethyl)piperidin-3-yl]-1H-pyrazol-4-yl]urea
CID 75474474
(3R)-3-(4-methyl-1H-pyrazol-5-yl)-1-[(1-methylpyrrol-2-yl)methyl]piperidine
CID 125026679
3-(4-methyl-1H-pyrazol-5-yl)-1-[(1-methylpyrrol-2-yl)methyl]piperidine
CID 110106266
2-[[(3R)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]benzoic acid
CID 125010591
4-[5-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-1H-pyrazol-4-yl]-2-pyrrolidin-1-ylpyrimidine
CID 92574725
(3R)-1-[(4-methoxyphenyl)methyl]-3-(4-methyl-1H-pyrazol-5-yl)piperidine
CID 95844793
2-[[(3R)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]quinoline
CID 124973675
2-methoxy-5-[[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrimidine
CID 95846027

Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-1H-pyrazol-5-yl)-1-(2-phenylethyl)piperidine?
The IUPAC name of 3-(4-methyl-1H-pyrazol-5-yl)-1-(2-phenylethyl)piperidine (CID 110270657) is 3-(4-methyl-1H-pyrazol-5-yl)-1-(2-phenylethyl)piperidine.
What is the SMILES notation for 3-(4-methyl-1H-pyrazol-5-yl)-1-(2-phenylethyl)piperidine?
The canonical SMILES for 3-(4-methyl-1H-pyrazol-5-yl)-1-(2-phenylethyl)piperidine is Cc1cn[nH]c1C1CCCN(CCc2ccccc2)C1.
What is the InChIKey of 3-(4-methyl-1H-pyrazol-5-yl)-1-(2-phenylethyl)piperidine?
The InChIKey is UJCSQJKXWNCHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-14-12-18-19-17(14)16-8-5-10-20(13-16)11-9-15-6-3-2-4-7-15/h2-4,6-7,12,16H,5,8-11,13H2,1H3,(H,18,19).
What are the key properties of 3-(4-methyl-1H-pyrazol-5-yl)-1-(2-phenylethyl)piperidine?
3-(4-methyl-1H-pyrazol-5-yl)-1-(2-phenylethyl)piperidine has a molecular weight of 269.39 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-1H-pyrazol-5-yl)-1-(2-phenylethyl)piperidine is sourced from PubChem (CID 110270657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).