1-ethyl-3-[2-(2-phenylpyrazol-3-yl)imidazol-1-yl]piperidine

C19H23N5 — CID 146043336

IUPAC1-ethyl-3-[2-(2-phenylpyrazol-3-yl)imidazol-1-yl]piperidine
SMILESCCN1CCCC(n2ccnc2-c2ccnn2-c2ccccc2)C1
InChIInChI=1S/C19H23N5/c1-2-22-13-6-9-17(15-22)23-14-12-20-19(23)18-10-11-21-24(18)16-7-4-3-5-8-16/h3-5,7-8,10-12,14,17H,2,6,9,13,15H2,1H3
InChIKeyPISPVUUBHYGQNK-UHFFFAOYSA-N
MW321.43 g/mol
LogP3.39
Rot. Bonds4

About 1-ethyl-3-[2-(2-phenylpyrazol-3-yl)imidazol-1-yl]piperidine

1-ethyl-3-[2-(2-phenylpyrazol-3-yl)imidazol-1-yl]piperidine (PubChem CID 146043336) has the molecular formula C19H23N5 and a molecular weight of 321.43 g/mol. Its IUPAC name is 1-ethyl-3-[2-(2-phenylpyrazol-3-yl)imidazol-1-yl]piperidine.

Molecular Properties

Compound Name1-ethyl-3-[2-(2-phenylpyrazol-3-yl)imidazol-1-yl]piperidine
PubChem CID146043336
Molecular FormulaC19H23N5
Molecular Weight321.43 g/mol
Exact Mass321.20
IUPAC Name1-ethyl-3-[2-(2-phenylpyrazol-3-yl)imidazol-1-yl]piperidine
SMILESCCN1CCCC(n2ccnc2-c2ccnn2-c2ccccc2)C1
InChIInChI=1S/C19H23N5/c1-2-22-13-6-9-17(15-22)23-14-12-20-19(23)18-10-11-21-24(18)16-7-4-3-5-8-16/h3-5,7-8,10-12,14,17H,2,6,9,13,15H2,1H3
InChIKeyPISPVUUBHYGQNK-UHFFFAOYSA-N
XLogP3.39
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,4R)-2-ethyl-4-[2-(2-phenylpyrazol-3-yl)imidazol-1-yl]piperidine
CID 154567649
7-[1-(1-ethylpyrrolidin-3-yl)imidazol-2-yl]-1H-indole
CID 155502063
3-[2-(2-chloro-3,4-dimethoxyphenyl)imidazol-1-yl]-1-ethylpiperidine
CID 146038437
6-chloro-2-[1-(1-ethylpiperidin-3-yl)imidazol-2-yl]quinoline
CID 146039646
1-ethyl-N-(1-phenylimidazol-2-yl)piperidin-3-amine
CID 106565174
5-[1-(1-ethylpyrrolidin-3-yl)imidazol-2-yl]-N,N-dimethylpyrimidin-2-amine
CID 154817183
1-(1-ethylpyrrolidin-3-yl)-2-(4-imidazol-1-ylphenyl)imidazole
CID 154820358
N,N-dimethyl-1-[(3R,4S)-4-[2-(2-phenylpyrazol-3-yl)imidazol-1-yl]oxolan-3-yl]methanesulfonamide
CID 166622045
2-(1-ethylpiperidin-3-yl)pyrazole-3-carboxylic acid
CID 105480601
N-methyl-1-[(2-phenylpyrazol-3-yl)methyl]pyrrolidin-3-amine
CID 120834032
1-methyl-4-[2-[2-(2-phenylpyrazol-3-yl)imidazol-1-yl]ethyl]pyrazole
CID 146044354
1-[1-[(2-phenylpyrazol-3-yl)methyl]pyrrolidin-3-yl]piperazine
CID 120967885

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-(2-phenylpyrazol-3-yl)imidazol-1-yl]piperidine?
The IUPAC name of 1-ethyl-3-[2-(2-phenylpyrazol-3-yl)imidazol-1-yl]piperidine (CID 146043336) is 1-ethyl-3-[2-(2-phenylpyrazol-3-yl)imidazol-1-yl]piperidine.
What is the SMILES notation for 1-ethyl-3-[2-(2-phenylpyrazol-3-yl)imidazol-1-yl]piperidine?
The canonical SMILES for 1-ethyl-3-[2-(2-phenylpyrazol-3-yl)imidazol-1-yl]piperidine is CCN1CCCC(n2ccnc2-c2ccnn2-c2ccccc2)C1.
What is the InChIKey of 1-ethyl-3-[2-(2-phenylpyrazol-3-yl)imidazol-1-yl]piperidine?
The InChIKey is PISPVUUBHYGQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5/c1-2-22-13-6-9-17(15-22)23-14-12-20-19(23)18-10-11-21-24(18)16-7-4-3-5-8-16/h3-5,7-8,10-12,14,17H,2,6,9,13,15H2,1H3.
What are the key properties of 1-ethyl-3-[2-(2-phenylpyrazol-3-yl)imidazol-1-yl]piperidine?
1-ethyl-3-[2-(2-phenylpyrazol-3-yl)imidazol-1-yl]piperidine has a molecular weight of 321.43 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-(2-phenylpyrazol-3-yl)imidazol-1-yl]piperidine is sourced from PubChem (CID 146043336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).