4-[3-[1-(1H-pyrazol-4-yl)ethyl]imidazol-4-yl]piperidine

C13H19N5 — CID 106212006

IUPAC4-[3-[1-(1H-pyrazol-4-yl)ethyl]imidazol-4-yl]piperidine
SMILESCC(c1cn[nH]c1)n1cncc1C1CCNCC1
InChIInChI=1S/C13H19N5/c1-10(12-6-16-17-7-12)18-9-15-8-13(18)11-2-4-14-5-3-11/h6-11,14H,2-5H2,1H3,(H,16,17)
InChIKeyIHYQIDULPGPFPT-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.68
Rot. Bonds3

About 4-[3-[1-(1H-pyrazol-4-yl)ethyl]imidazol-4-yl]piperidine

4-[3-[1-(1H-pyrazol-4-yl)ethyl]imidazol-4-yl]piperidine (PubChem CID 106212006) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 4-[3-[1-(1H-pyrazol-4-yl)ethyl]imidazol-4-yl]piperidine.

Molecular Properties

Compound Name4-[3-[1-(1H-pyrazol-4-yl)ethyl]imidazol-4-yl]piperidine
PubChem CID106212006
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name4-[3-[1-(1H-pyrazol-4-yl)ethyl]imidazol-4-yl]piperidine
SMILESCC(c1cn[nH]c1)n1cncc1C1CCNCC1
InChIInChI=1S/C13H19N5/c1-10(12-6-16-17-7-12)18-9-15-8-13(18)11-2-4-14-5-3-11/h6-11,14H,2-5H2,1H3,(H,16,17)
InChIKeyIHYQIDULPGPFPT-UHFFFAOYSA-N
XLogP1.68
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(3-methylpentan-2-yl)imidazol-4-yl]piperidine
CID 114704625
4-[3-(1-cyclohexylethyl)imidazol-4-yl]piperidine
CID 114705815
4-[1-(1H-pyrazol-4-yl)ethyl]piperidine
CID 84657149
2-[3-[1-(1H-pyrazol-4-yl)ethyl]imidazol-4-yl]ethanamine
CID 106211999
N,N-dimethyl-2-(5-piperidin-4-ylimidazol-1-yl)propanamide
CID 114705390
4-[3-(2-pyrrolidin-1-ylpropyl)imidazol-4-yl]piperidine
CID 114706795
4-[3-(2,2,3-trimethylbutyl)imidazol-4-yl]piperidine
CID 114102709
4-(3-methylimidazol-4-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]piperidine-1-carboxamide
CID 139018214
1-but-3-en-2-yl-5-pyrrolidin-3-ylimidazole
CID 114722129
1-(1-methoxypropan-2-yl)-5-pyrrolidin-3-ylimidazole
CID 114716573
1-(5-cyclopropylimidazol-1-yl)ethanethiol
CID 147733505
3,5-dimethyl-4-[1-(5-pyrrolidin-3-ylimidazol-1-yl)ethyl]-1,2-oxazole
CID 114721129

Frequently Asked Questions

What is the IUPAC name of 4-[3-[1-(1H-pyrazol-4-yl)ethyl]imidazol-4-yl]piperidine?
The IUPAC name of 4-[3-[1-(1H-pyrazol-4-yl)ethyl]imidazol-4-yl]piperidine (CID 106212006) is 4-[3-[1-(1H-pyrazol-4-yl)ethyl]imidazol-4-yl]piperidine.
What is the SMILES notation for 4-[3-[1-(1H-pyrazol-4-yl)ethyl]imidazol-4-yl]piperidine?
The canonical SMILES for 4-[3-[1-(1H-pyrazol-4-yl)ethyl]imidazol-4-yl]piperidine is CC(c1cn[nH]c1)n1cncc1C1CCNCC1.
What is the InChIKey of 4-[3-[1-(1H-pyrazol-4-yl)ethyl]imidazol-4-yl]piperidine?
The InChIKey is IHYQIDULPGPFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-10(12-6-16-17-7-12)18-9-15-8-13(18)11-2-4-14-5-3-11/h6-11,14H,2-5H2,1H3,(H,16,17).
What are the key properties of 4-[3-[1-(1H-pyrazol-4-yl)ethyl]imidazol-4-yl]piperidine?
4-[3-[1-(1H-pyrazol-4-yl)ethyl]imidazol-4-yl]piperidine has a molecular weight of 245.33 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[1-(1H-pyrazol-4-yl)ethyl]imidazol-4-yl]piperidine is sourced from PubChem (CID 106212006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).