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

C10H16BrN3 — CID 82380397

IUPAC[4-(4-bromopyrazol-1-yl)cyclohexyl]methanamine
SMILESNCC1CCC(n2cc(Br)cn2)CC1
InChIInChI=1S/C10H16BrN3/c11-9-6-13-14(7-9)10-3-1-8(5-12)2-4-10/h6-8,10H,1-5,12H2
InChIKeyCEGZSPYCGXLWKV-UHFFFAOYSA-N
MW258.16 g/mol
LogP2.34
Rot. Bonds2

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

[4-(4-bromopyrazol-1-yl)cyclohexyl]methanamine (PubChem CID 82380397) has the molecular formula C10H16BrN3 and a molecular weight of 258.16 g/mol. Its IUPAC name is [4-(4-bromopyrazol-1-yl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-(4-bromopyrazol-1-yl)cyclohexyl]methanamine
PubChem CID82380397
Molecular FormulaC10H16BrN3
Molecular Weight258.16 g/mol
Exact Mass257.05
IUPAC Name[4-(4-bromopyrazol-1-yl)cyclohexyl]methanamine
SMILESNCC1CCC(n2cc(Br)cn2)CC1
InChIInChI=1S/C10H16BrN3/c11-9-6-13-14(7-9)10-3-1-8(5-12)2-4-10/h6-8,10H,1-5,12H2
InChIKeyCEGZSPYCGXLWKV-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(4-bromopyrazol-1-yl)cyclohexyl]methanamine?
The IUPAC name of [4-(4-bromopyrazol-1-yl)cyclohexyl]methanamine (CID 82380397) is [4-(4-bromopyrazol-1-yl)cyclohexyl]methanamine.
What is the SMILES notation for [4-(4-bromopyrazol-1-yl)cyclohexyl]methanamine?
The canonical SMILES for [4-(4-bromopyrazol-1-yl)cyclohexyl]methanamine is NCC1CCC(n2cc(Br)cn2)CC1.
What is the InChIKey of [4-(4-bromopyrazol-1-yl)cyclohexyl]methanamine?
The InChIKey is CEGZSPYCGXLWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3/c11-9-6-13-14(7-9)10-3-1-8(5-12)2-4-10/h6-8,10H,1-5,12H2.
What are the key properties of [4-(4-bromopyrazol-1-yl)cyclohexyl]methanamine?
[4-(4-bromopyrazol-1-yl)cyclohexyl]methanamine has a molecular weight of 258.16 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-bromopyrazol-1-yl)cyclohexyl]methanamine is sourced from PubChem (CID 82380397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).