1-ethyl-4-(4-phenyl-1H-pyrazol-5-yl)piperidine

C16H21N3 — CID 70765763

IUPAC1-ethyl-4-(4-phenyl-1H-pyrazol-5-yl)piperidine
SMILESCCN1CCC(c2[nH]ncc2-c2ccccc2)CC1
InChIInChI=1S/C16H21N3/c1-2-19-10-8-14(9-11-19)16-15(12-17-18-16)13-6-4-3-5-7-13/h3-7,12,14H,2,8-11H2,1H3,(H,17,18)
InChIKeyXOJAEWBRUQHNDK-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.28
Rot. Bonds3

About 1-ethyl-4-(4-phenyl-1H-pyrazol-5-yl)piperidine

1-ethyl-4-(4-phenyl-1H-pyrazol-5-yl)piperidine (PubChem CID 70765763) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 1-ethyl-4-(4-phenyl-1H-pyrazol-5-yl)piperidine.

Molecular Properties

Compound Name1-ethyl-4-(4-phenyl-1H-pyrazol-5-yl)piperidine
PubChem CID70765763
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name1-ethyl-4-(4-phenyl-1H-pyrazol-5-yl)piperidine
SMILESCCN1CCC(c2[nH]ncc2-c2ccccc2)CC1
InChIInChI=1S/C16H21N3/c1-2-19-10-8-14(9-11-19)16-15(12-17-18-16)13-6-4-3-5-7-13/h3-7,12,14H,2,8-11H2,1H3,(H,17,18)
InChIKeyXOJAEWBRUQHNDK-UHFFFAOYSA-N
XLogP3.28
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]benzoic acid
CID 56741084
2,6-dimethoxy-4-[[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenol
CID 56750158
4-(4-naphthalen-2-yl-1H-pyrazol-5-yl)-1-propylpiperidine
CID 26342057
(2S)-2-hydroxy-1-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 95197316
1-benzyl-4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine
CID 42479344
2-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]acetic acid
CID 56741273
1-benzyl-4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidine
CID 42165171
[2-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]quinolin-3-yl]methanol
CID 56704240
3-(4-phenyl-1H-pyrazol-5-yl)-1-(1H-pyrazol-5-ylmethyl)piperidine
CID 45248311
1-[(2R)-2-methylbutyl]-4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidine
CID 42164961
1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine
CID 56750018
(2-hydroxy-4-methylphenyl)-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 56752151

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(4-phenyl-1H-pyrazol-5-yl)piperidine?
The IUPAC name of 1-ethyl-4-(4-phenyl-1H-pyrazol-5-yl)piperidine (CID 70765763) is 1-ethyl-4-(4-phenyl-1H-pyrazol-5-yl)piperidine.
What is the SMILES notation for 1-ethyl-4-(4-phenyl-1H-pyrazol-5-yl)piperidine?
The canonical SMILES for 1-ethyl-4-(4-phenyl-1H-pyrazol-5-yl)piperidine is CCN1CCC(c2[nH]ncc2-c2ccccc2)CC1.
What is the InChIKey of 1-ethyl-4-(4-phenyl-1H-pyrazol-5-yl)piperidine?
The InChIKey is XOJAEWBRUQHNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-2-19-10-8-14(9-11-19)16-15(12-17-18-16)13-6-4-3-5-7-13/h3-7,12,14H,2,8-11H2,1H3,(H,17,18).
What are the key properties of 1-ethyl-4-(4-phenyl-1H-pyrazol-5-yl)piperidine?
1-ethyl-4-(4-phenyl-1H-pyrazol-5-yl)piperidine has a molecular weight of 255.37 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(4-phenyl-1H-pyrazol-5-yl)piperidine is sourced from PubChem (CID 70765763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).