1-[3-[5-(1-cyclohexylpyrazol-4-yl)imidazol-1-yl]propyl]piperidine

C20H31N5 — CID 46980564

IUPAC1-[3-[5-(1-cyclohexylpyrazol-4-yl)imidazol-1-yl]propyl]piperidine
SMILESc1nn(C2CCCCC2)cc1-c1cncn1CCCN1CCCCC1
InChIInChI=1S/C20H31N5/c1-3-8-19(9-4-1)25-16-18(14-22-25)20-15-21-17-24(20)13-7-12-23-10-5-2-6-11-23/h14-17,19H,1-13H2
InChIKeySYMLXZYNQAQESD-UHFFFAOYSA-N
MW341.50 g/mol
LogP4.13
Rot. Bonds6

About 1-[3-[5-(1-cyclohexylpyrazol-4-yl)imidazol-1-yl]propyl]piperidine

1-[3-[5-(1-cyclohexylpyrazol-4-yl)imidazol-1-yl]propyl]piperidine (PubChem CID 46980564) has the molecular formula C20H31N5 and a molecular weight of 341.50 g/mol. Its IUPAC name is 1-[3-[5-(1-cyclohexylpyrazol-4-yl)imidazol-1-yl]propyl]piperidine.

Molecular Properties

Compound Name1-[3-[5-(1-cyclohexylpyrazol-4-yl)imidazol-1-yl]propyl]piperidine
PubChem CID46980564
Molecular FormulaC20H31N5
Molecular Weight341.50 g/mol
Exact Mass341.26
IUPAC Name1-[3-[5-(1-cyclohexylpyrazol-4-yl)imidazol-1-yl]propyl]piperidine
SMILESc1nn(C2CCCCC2)cc1-c1cncn1CCCN1CCCCC1
InChIInChI=1S/C20H31N5/c1-3-8-19(9-4-1)25-16-18(14-22-25)20-15-21-17-24(20)13-7-12-23-10-5-2-6-11-23/h14-17,19H,1-13H2
InChIKeySYMLXZYNQAQESD-UHFFFAOYSA-N
XLogP4.13
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
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-[3-[5-(1-cyclohexylpyrazol-4-yl)imidazol-1-yl]propyl]piperidine?
The IUPAC name of 1-[3-[5-(1-cyclohexylpyrazol-4-yl)imidazol-1-yl]propyl]piperidine (CID 46980564) is 1-[3-[5-(1-cyclohexylpyrazol-4-yl)imidazol-1-yl]propyl]piperidine.
What is the SMILES notation for 1-[3-[5-(1-cyclohexylpyrazol-4-yl)imidazol-1-yl]propyl]piperidine?
The canonical SMILES for 1-[3-[5-(1-cyclohexylpyrazol-4-yl)imidazol-1-yl]propyl]piperidine is c1nn(C2CCCCC2)cc1-c1cncn1CCCN1CCCCC1.
What is the InChIKey of 1-[3-[5-(1-cyclohexylpyrazol-4-yl)imidazol-1-yl]propyl]piperidine?
The InChIKey is SYMLXZYNQAQESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5/c1-3-8-19(9-4-1)25-16-18(14-22-25)20-15-21-17-24(20)13-7-12-23-10-5-2-6-11-23/h14-17,19H,1-13H2.
What are the key properties of 1-[3-[5-(1-cyclohexylpyrazol-4-yl)imidazol-1-yl]propyl]piperidine?
1-[3-[5-(1-cyclohexylpyrazol-4-yl)imidazol-1-yl]propyl]piperidine has a molecular weight of 341.50 g/mol, XLogP of 4.13, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[5-(1-cyclohexylpyrazol-4-yl)imidazol-1-yl]propyl]piperidine is sourced from PubChem (CID 46980564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).