[1-(4-bromopyrazol-1-yl)cyclohexyl]methanamine

C10H16BrN3 — CID 84738155

IUPAC[1-(4-bromopyrazol-1-yl)cyclohexyl]methanamine
SMILESNCC1(n2cc(Br)cn2)CCCCC1
InChIInChI=1S/C10H16BrN3/c11-9-6-13-14(7-9)10(8-12)4-2-1-3-5-10/h6-7H,1-5,8,12H2
InChIKeyDFUWZLMXBMIBBH-UHFFFAOYSA-N
MW258.16 g/mol
LogP2.26
Rot. Bonds2

About [1-(4-bromopyrazol-1-yl)cyclohexyl]methanamine

[1-(4-bromopyrazol-1-yl)cyclohexyl]methanamine (PubChem CID 84738155) has the molecular formula C10H16BrN3 and a molecular weight of 258.16 g/mol. Its IUPAC name is [1-(4-bromopyrazol-1-yl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(4-bromopyrazol-1-yl)cyclohexyl]methanamine
PubChem CID84738155
Molecular FormulaC10H16BrN3
Molecular Weight258.16 g/mol
Exact Mass257.05
IUPAC Name[1-(4-bromopyrazol-1-yl)cyclohexyl]methanamine
SMILESNCC1(n2cc(Br)cn2)CCCCC1
InChIInChI=1S/C10H16BrN3/c11-9-6-13-14(7-9)10(8-12)4-2-1-3-5-10/h6-7H,1-5,8,12H2
InChIKeyDFUWZLMXBMIBBH-UHFFFAOYSA-N
XLogP2.26
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(4-bromopyrazol-1-yl)cyclohexyl]methanamine?
The IUPAC name of [1-(4-bromopyrazol-1-yl)cyclohexyl]methanamine (CID 84738155) is [1-(4-bromopyrazol-1-yl)cyclohexyl]methanamine.
What is the SMILES notation for [1-(4-bromopyrazol-1-yl)cyclohexyl]methanamine?
The canonical SMILES for [1-(4-bromopyrazol-1-yl)cyclohexyl]methanamine is NCC1(n2cc(Br)cn2)CCCCC1.
What is the InChIKey of [1-(4-bromopyrazol-1-yl)cyclohexyl]methanamine?
The InChIKey is DFUWZLMXBMIBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3/c11-9-6-13-14(7-9)10(8-12)4-2-1-3-5-10/h6-7H,1-5,8,12H2.
What are the key properties of [1-(4-bromopyrazol-1-yl)cyclohexyl]methanamine?
[1-(4-bromopyrazol-1-yl)cyclohexyl]methanamine has a molecular weight of 258.16 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromopyrazol-1-yl)cyclohexyl]methanamine is sourced from PubChem (CID 84738155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).