N-(4-pyrazol-1-ylbutan-2-yl)cyclohexanamine

C13H23N3 — CID 86784746

IUPACN-(4-pyrazol-1-ylbutan-2-yl)cyclohexanamine
SMILESCC(CCn1cccn1)NC1CCCCC1
InChIInChI=1S/C13H23N3/c1-12(8-11-16-10-5-9-14-16)15-13-6-3-2-4-7-13/h5,9-10,12-13,15H,2-4,6-8,11H2,1H3
InChIKeyGLATZSWIPWBSEJ-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.58
Rot. Bonds5

About N-(4-pyrazol-1-ylbutan-2-yl)cyclohexanamine

N-(4-pyrazol-1-ylbutan-2-yl)cyclohexanamine (PubChem CID 86784746) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N-(4-pyrazol-1-ylbutan-2-yl)cyclohexanamine.

Molecular Properties

Compound NameN-(4-pyrazol-1-ylbutan-2-yl)cyclohexanamine
PubChem CID86784746
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN-(4-pyrazol-1-ylbutan-2-yl)cyclohexanamine
SMILESCC(CCn1cccn1)NC1CCCCC1
InChIInChI=1S/C13H23N3/c1-12(8-11-16-10-5-9-14-16)15-13-6-3-2-4-7-13/h5,9-10,12-13,15H,2-4,6-8,11H2,1H3
InChIKeyGLATZSWIPWBSEJ-UHFFFAOYSA-N
XLogP2.58
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-pyrazol-1-ylbutan-2-yl)cyclohexanamine?
The IUPAC name of N-(4-pyrazol-1-ylbutan-2-yl)cyclohexanamine (CID 86784746) is N-(4-pyrazol-1-ylbutan-2-yl)cyclohexanamine.
What is the SMILES notation for N-(4-pyrazol-1-ylbutan-2-yl)cyclohexanamine?
The canonical SMILES for N-(4-pyrazol-1-ylbutan-2-yl)cyclohexanamine is CC(CCn1cccn1)NC1CCCCC1.
What is the InChIKey of N-(4-pyrazol-1-ylbutan-2-yl)cyclohexanamine?
The InChIKey is GLATZSWIPWBSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-12(8-11-16-10-5-9-14-16)15-13-6-3-2-4-7-13/h5,9-10,12-13,15H,2-4,6-8,11H2,1H3.
What are the key properties of N-(4-pyrazol-1-ylbutan-2-yl)cyclohexanamine?
N-(4-pyrazol-1-ylbutan-2-yl)cyclohexanamine has a molecular weight of 221.35 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyrazol-1-ylbutan-2-yl)cyclohexanamine is sourced from PubChem (CID 86784746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).