4-(4-bromopyrazol-1-yl)cyclohexan-1-amine

C9H14BrN3 — CID 62806032

IUPAC4-(4-bromopyrazol-1-yl)cyclohexan-1-amine
SMILESNC1CCC(n2cc(Br)cn2)CC1
InChIInChI=1S/C9H14BrN3/c10-7-5-12-13(6-7)9-3-1-8(11)2-4-9/h5-6,8-9H,1-4,11H2
InChIKeyILBAFRKMTWKWIN-UHFFFAOYSA-N
MW244.14 g/mol
LogP2.09
Rot. Bonds1

About 4-(4-bromopyrazol-1-yl)cyclohexan-1-amine

4-(4-bromopyrazol-1-yl)cyclohexan-1-amine (PubChem CID 62806032) has the molecular formula C9H14BrN3 and a molecular weight of 244.14 g/mol. Its IUPAC name is 4-(4-bromopyrazol-1-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-(4-bromopyrazol-1-yl)cyclohexan-1-amine
PubChem CID62806032
Molecular FormulaC9H14BrN3
Molecular Weight244.14 g/mol
Exact Mass243.04
IUPAC Name4-(4-bromopyrazol-1-yl)cyclohexan-1-amine
SMILESNC1CCC(n2cc(Br)cn2)CC1
InChIInChI=1S/C9H14BrN3/c10-7-5-12-13(6-7)9-3-1-8(11)2-4-9/h5-6,8-9H,1-4,11H2
InChIKeyILBAFRKMTWKWIN-UHFFFAOYSA-N
XLogP2.09
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.14
LogP ≤ 52.09
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)cyclohexan-1-amine?
The IUPAC name of 4-(4-bromopyrazol-1-yl)cyclohexan-1-amine (CID 62806032) is 4-(4-bromopyrazol-1-yl)cyclohexan-1-amine.
What is the SMILES notation for 4-(4-bromopyrazol-1-yl)cyclohexan-1-amine?
The canonical SMILES for 4-(4-bromopyrazol-1-yl)cyclohexan-1-amine is NC1CCC(n2cc(Br)cn2)CC1.
What is the InChIKey of 4-(4-bromopyrazol-1-yl)cyclohexan-1-amine?
The InChIKey is ILBAFRKMTWKWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN3/c10-7-5-12-13(6-7)9-3-1-8(11)2-4-9/h5-6,8-9H,1-4,11H2.
What are the key properties of 4-(4-bromopyrazol-1-yl)cyclohexan-1-amine?
4-(4-bromopyrazol-1-yl)cyclohexan-1-amine has a molecular weight of 244.14 g/mol, XLogP of 2.09, 1 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)cyclohexan-1-amine is sourced from PubChem (CID 62806032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).