1-[1-[5-(1-cyclohexylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]piperidine

C20H31N5 — CID 46980559

IUPAC1-[1-[5-(1-cyclohexylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]piperidine
SMILESCC(Cn1cncc1-c1cnn(C2CCCCC2)c1)N1CCCCC1
InChIInChI=1S/C20H31N5/c1-17(23-10-6-3-7-11-23)14-24-16-21-13-20(24)18-12-22-25(15-18)19-8-4-2-5-9-19/h12-13,15-17,19H,2-11,14H2,1H3
InChIKeyRRGLMRKLLFIOJU-UHFFFAOYSA-N
MW341.50 g/mol
LogP4.13
Rot. Bonds5

About 1-[1-[5-(1-cyclohexylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]piperidine

1-[1-[5-(1-cyclohexylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]piperidine (PubChem CID 46980559) has the molecular formula C20H31N5 and a molecular weight of 341.50 g/mol. Its IUPAC name is 1-[1-[5-(1-cyclohexylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]piperidine.

Molecular Properties

Compound Name1-[1-[5-(1-cyclohexylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]piperidine
PubChem CID46980559
Molecular FormulaC20H31N5
Molecular Weight341.50 g/mol
Exact Mass341.26
IUPAC Name1-[1-[5-(1-cyclohexylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]piperidine
SMILESCC(Cn1cncc1-c1cnn(C2CCCCC2)c1)N1CCCCC1
InChIInChI=1S/C20H31N5/c1-17(23-10-6-3-7-11-23)14-24-16-21-13-20(24)18-12-22-25(15-18)19-8-4-2-5-9-19/h12-13,15-17,19H,2-11,14H2,1H3
InChIKeyRRGLMRKLLFIOJU-UHFFFAOYSA-N
XLogP4.13
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[5-(1-cyclohexylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]piperidine?
The IUPAC name of 1-[1-[5-(1-cyclohexylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]piperidine (CID 46980559) is 1-[1-[5-(1-cyclohexylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]piperidine.
What is the SMILES notation for 1-[1-[5-(1-cyclohexylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]piperidine?
The canonical SMILES for 1-[1-[5-(1-cyclohexylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]piperidine is CC(Cn1cncc1-c1cnn(C2CCCCC2)c1)N1CCCCC1.
What is the InChIKey of 1-[1-[5-(1-cyclohexylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]piperidine?
The InChIKey is RRGLMRKLLFIOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5/c1-17(23-10-6-3-7-11-23)14-24-16-21-13-20(24)18-12-22-25(15-18)19-8-4-2-5-9-19/h12-13,15-17,19H,2-11,14H2,1H3.
What are the key properties of 1-[1-[5-(1-cyclohexylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]piperidine?
1-[1-[5-(1-cyclohexylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]piperidine has a molecular weight of 341.50 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[5-(1-cyclohexylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]piperidine is sourced from PubChem (CID 46980559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).