4-[3-[2-(1-methylpyrazol-3-yl)ethyl]imidazol-4-yl]piperidine

C14H21N5 — CID 106106979

IUPAC4-[3-[2-(1-methylpyrazol-3-yl)ethyl]imidazol-4-yl]piperidine
SMILESCn1ccc(CCn2cncc2C2CCNCC2)n1
InChIInChI=1S/C14H21N5/c1-18-8-4-13(17-18)5-9-19-11-16-10-14(19)12-2-6-15-7-3-12/h4,8,10-12,15H,2-3,5-7,9H2,1H3
InChIKeyKFOQEEKGJXMKLM-UHFFFAOYSA-N
MW259.36 g/mol
LogP1.33
Rot. Bonds4

About 4-[3-[2-(1-methylpyrazol-3-yl)ethyl]imidazol-4-yl]piperidine

4-[3-[2-(1-methylpyrazol-3-yl)ethyl]imidazol-4-yl]piperidine (PubChem CID 106106979) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 4-[3-[2-(1-methylpyrazol-3-yl)ethyl]imidazol-4-yl]piperidine.

Molecular Properties

Compound Name4-[3-[2-(1-methylpyrazol-3-yl)ethyl]imidazol-4-yl]piperidine
PubChem CID106106979
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name4-[3-[2-(1-methylpyrazol-3-yl)ethyl]imidazol-4-yl]piperidine
SMILESCn1ccc(CCn2cncc2C2CCNCC2)n1
InChIInChI=1S/C14H21N5/c1-18-8-4-13(17-18)5-9-19-11-16-10-14(19)12-2-6-15-7-3-12/h4,8,10-12,15H,2-3,5-7,9H2,1H3
InChIKeyKFOQEEKGJXMKLM-UHFFFAOYSA-N
XLogP1.33
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-[2-(4-chlorophenyl)ethyl]imidazol-4-yl]piperidine
CID 114704864
N-ethyl-N-methyl-2-(5-piperidin-4-ylimidazol-1-yl)ethanamine
CID 114705667
1-(2-phenylethyl)-5-pyrrolidin-3-ylimidazole
CID 114716968
1-methyl-2-[2-(5-pyrrolidin-3-ylimidazol-1-yl)ethyl]imidazole
CID 114719151
4-[2-(5-cyclopropylimidazol-1-yl)ethyl]-1,2,3,6-tetrahydropyridine
CID 107490004
4-[(5-piperidin-4-ylimidazol-1-yl)methyl]pyridine
CID 114703940
1-butyl-5-pyrrolidin-3-ylimidazole
CID 114716363
1-piperidin-1-yl-3-(5-piperidin-4-ylimidazol-1-yl)propan-1-one
CID 114707224
(1S)-1-[3-[2-(1-methylpyrazol-3-yl)ethyl]imidazol-4-yl]ethanamine
CID 106106983
1-[2-(2-methoxyphenyl)ethyl]-5-pyrrolidin-3-ylimidazole
CID 106261724
4-[3-(2,2,3-trimethylbutyl)imidazol-4-yl]piperidine
CID 114102709
1-pentyl-5-pyrrolidin-3-ylimidazole
CID 114716240

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-(1-methylpyrazol-3-yl)ethyl]imidazol-4-yl]piperidine?
The IUPAC name of 4-[3-[2-(1-methylpyrazol-3-yl)ethyl]imidazol-4-yl]piperidine (CID 106106979) is 4-[3-[2-(1-methylpyrazol-3-yl)ethyl]imidazol-4-yl]piperidine.
What is the SMILES notation for 4-[3-[2-(1-methylpyrazol-3-yl)ethyl]imidazol-4-yl]piperidine?
The canonical SMILES for 4-[3-[2-(1-methylpyrazol-3-yl)ethyl]imidazol-4-yl]piperidine is Cn1ccc(CCn2cncc2C2CCNCC2)n1.
What is the InChIKey of 4-[3-[2-(1-methylpyrazol-3-yl)ethyl]imidazol-4-yl]piperidine?
The InChIKey is KFOQEEKGJXMKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-18-8-4-13(17-18)5-9-19-11-16-10-14(19)12-2-6-15-7-3-12/h4,8,10-12,15H,2-3,5-7,9H2,1H3.
What are the key properties of 4-[3-[2-(1-methylpyrazol-3-yl)ethyl]imidazol-4-yl]piperidine?
4-[3-[2-(1-methylpyrazol-3-yl)ethyl]imidazol-4-yl]piperidine has a molecular weight of 259.36 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-(1-methylpyrazol-3-yl)ethyl]imidazol-4-yl]piperidine is sourced from PubChem (CID 106106979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).