4-[1-(cyclohexylmethyl)pyrazol-4-yl]piperidine

C15H25N3 — CID 122240833

IUPAC4-[1-(cyclohexylmethyl)pyrazol-4-yl]piperidine
SMILESc1nn(CC2CCCCC2)cc1C1CCNCC1
InChIInChI=1S/C15H25N3/c1-2-4-13(5-3-1)11-18-12-15(10-17-18)14-6-8-16-9-7-14/h10,12-14,16H,1-9,11H2
InChIKeyYEXJRMMBKAYLHE-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.93
Rot. Bonds3

About 4-[1-(cyclohexylmethyl)pyrazol-4-yl]piperidine

4-[1-(cyclohexylmethyl)pyrazol-4-yl]piperidine (PubChem CID 122240833) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 4-[1-(cyclohexylmethyl)pyrazol-4-yl]piperidine.

Molecular Properties

Compound Name4-[1-(cyclohexylmethyl)pyrazol-4-yl]piperidine
PubChem CID122240833
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name4-[1-(cyclohexylmethyl)pyrazol-4-yl]piperidine
SMILESc1nn(CC2CCCCC2)cc1C1CCNCC1
InChIInChI=1S/C15H25N3/c1-2-4-13(5-3-1)11-18-12-15(10-17-18)14-6-8-16-9-7-14/h10,12-14,16H,1-9,11H2
InChIKeyYEXJRMMBKAYLHE-UHFFFAOYSA-N
XLogP2.93
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-(oxan-2-ylmethyl)pyrazol-4-yl]piperidine
CID 122240754
4-(1-propylpyrazol-4-yl)azepane
CID 83261378
tert-butyl 3-[(4-piperidin-4-ylpyrazol-1-yl)methyl]azetidine-1-carboxylate
CID 122240953
4-[1-(2-methylprop-2-enyl)pyrazol-4-yl]piperidine
CID 122240934
4-cyclopropyl-1-(pyrrolidin-2-ylmethyl)pyrazole
CID 84733041
4-[1-(2-phenylethyl)pyrazol-4-yl]piperidine
CID 122240912
1-(2-methylpropyl)-4-pyrrolidin-3-ylpyrazole
CID 105447574
5-chloro-4-[1-(cyclopentylmethyl)pyrazol-4-yl]-2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine
CID 164929988
4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]methyl]piperidine
CID 142458257
1-[1-(cyclohexylmethyl)pyrazol-4-yl]ethanol
CID 62729638
4-bromo-1-[[(3S)-pyrrolidin-3-yl]methyl]pyrazole
CID 94408772
1-cycloheptyl-4-pyrrolidin-3-ylpyrazole
CID 105493602

Frequently Asked Questions

What is the IUPAC name of 4-[1-(cyclohexylmethyl)pyrazol-4-yl]piperidine?
The IUPAC name of 4-[1-(cyclohexylmethyl)pyrazol-4-yl]piperidine (CID 122240833) is 4-[1-(cyclohexylmethyl)pyrazol-4-yl]piperidine.
What is the SMILES notation for 4-[1-(cyclohexylmethyl)pyrazol-4-yl]piperidine?
The canonical SMILES for 4-[1-(cyclohexylmethyl)pyrazol-4-yl]piperidine is c1nn(CC2CCCCC2)cc1C1CCNCC1.
What is the InChIKey of 4-[1-(cyclohexylmethyl)pyrazol-4-yl]piperidine?
The InChIKey is YEXJRMMBKAYLHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-2-4-13(5-3-1)11-18-12-15(10-17-18)14-6-8-16-9-7-14/h10,12-14,16H,1-9,11H2.
What are the key properties of 4-[1-(cyclohexylmethyl)pyrazol-4-yl]piperidine?
4-[1-(cyclohexylmethyl)pyrazol-4-yl]piperidine has a molecular weight of 247.39 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(cyclohexylmethyl)pyrazol-4-yl]piperidine is sourced from PubChem (CID 122240833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).