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

C20H32ClN5 — CID 118741671

IUPAC1-[3-[5-(1-cyclohexylpyrazol-4-yl)imidazol-1-yl]propyl]piperidine;hydrochloride
SMILESCl.c1nn(C2CCCCC2)cc1-c1cncn1CCCN1CCCCC1
InChIInChI=1S/C20H31N5.ClH/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;1H
InChIKeyZOPNPAGZFXIPQK-UHFFFAOYSA-N
MW377.96 g/mol
LogP4.55
Rot. Bonds6

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

1-[3-[5-(1-cyclohexylpyrazol-4-yl)imidazol-1-yl]propyl]piperidine;hydrochloride (PubChem CID 118741671) has the molecular formula C20H32ClN5 and a molecular weight of 377.96 g/mol. Its IUPAC name is 1-[3-[5-(1-cyclohexylpyrazol-4-yl)imidazol-1-yl]propyl]piperidine;hydrochloride.

Molecular Properties

Compound Name1-[3-[5-(1-cyclohexylpyrazol-4-yl)imidazol-1-yl]propyl]piperidine;hydrochloride
PubChem CID118741671
Molecular FormulaC20H32ClN5
Molecular Weight377.96 g/mol
Exact Mass377.23
IUPAC Name1-[3-[5-(1-cyclohexylpyrazol-4-yl)imidazol-1-yl]propyl]piperidine;hydrochloride
SMILESCl.c1nn(C2CCCCC2)cc1-c1cncn1CCCN1CCCCC1
InChIInChI=1S/C20H31N5.ClH/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;1H
InChIKeyZOPNPAGZFXIPQK-UHFFFAOYSA-N
XLogP4.55
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.96
LogP ≤ 54.55
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;hydrochloride?
The IUPAC name of 1-[3-[5-(1-cyclohexylpyrazol-4-yl)imidazol-1-yl]propyl]piperidine;hydrochloride (CID 118741671) is 1-[3-[5-(1-cyclohexylpyrazol-4-yl)imidazol-1-yl]propyl]piperidine;hydrochloride.
What is the SMILES notation for 1-[3-[5-(1-cyclohexylpyrazol-4-yl)imidazol-1-yl]propyl]piperidine;hydrochloride?
The canonical SMILES for 1-[3-[5-(1-cyclohexylpyrazol-4-yl)imidazol-1-yl]propyl]piperidine;hydrochloride is Cl.c1nn(C2CCCCC2)cc1-c1cncn1CCCN1CCCCC1.
What is the InChIKey of 1-[3-[5-(1-cyclohexylpyrazol-4-yl)imidazol-1-yl]propyl]piperidine;hydrochloride?
The InChIKey is ZOPNPAGZFXIPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5.ClH/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;1H.
What are the key properties of 1-[3-[5-(1-cyclohexylpyrazol-4-yl)imidazol-1-yl]propyl]piperidine;hydrochloride?
1-[3-[5-(1-cyclohexylpyrazol-4-yl)imidazol-1-yl]propyl]piperidine;hydrochloride has a molecular weight of 377.96 g/mol, XLogP of 4.55, 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;hydrochloride is sourced from PubChem (CID 118741671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).