1-[2-(4-bromopyrazol-1-yl)ethyl]cyclopropan-1-amine

C8H12BrN3 — CID 84693286

IUPAC1-[2-(4-bromopyrazol-1-yl)ethyl]cyclopropan-1-amine
SMILESNC1(CCn2cc(Br)cn2)CC1
InChIInChI=1S/C8H12BrN3/c9-7-5-11-12(6-7)4-3-8(10)1-2-8/h5-6H,1-4,10H2
InChIKeyVDWNBGLDAOVPHS-UHFFFAOYSA-N
MW230.11 g/mol
LogP1.53
Rot. Bonds3

About 1-[2-(4-bromopyrazol-1-yl)ethyl]cyclopropan-1-amine

1-[2-(4-bromopyrazol-1-yl)ethyl]cyclopropan-1-amine (PubChem CID 84693286) has the molecular formula C8H12BrN3 and a molecular weight of 230.11 g/mol. Its IUPAC name is 1-[2-(4-bromopyrazol-1-yl)ethyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[2-(4-bromopyrazol-1-yl)ethyl]cyclopropan-1-amine
PubChem CID84693286
Molecular FormulaC8H12BrN3
Molecular Weight230.11 g/mol
Exact Mass229.02
IUPAC Name1-[2-(4-bromopyrazol-1-yl)ethyl]cyclopropan-1-amine
SMILESNC1(CCn2cc(Br)cn2)CC1
InChIInChI=1S/C8H12BrN3/c9-7-5-11-12(6-7)4-3-8(10)1-2-8/h5-6H,1-4,10H2
InChIKeyVDWNBGLDAOVPHS-UHFFFAOYSA-N
XLogP1.53
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.11
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 130696035
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4-bromo-1-(4,4,4-trifluorobutyl)pyrazole
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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromopyrazol-1-yl)ethyl]cyclopropan-1-amine?
The IUPAC name of 1-[2-(4-bromopyrazol-1-yl)ethyl]cyclopropan-1-amine (CID 84693286) is 1-[2-(4-bromopyrazol-1-yl)ethyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[2-(4-bromopyrazol-1-yl)ethyl]cyclopropan-1-amine?
The canonical SMILES for 1-[2-(4-bromopyrazol-1-yl)ethyl]cyclopropan-1-amine is NC1(CCn2cc(Br)cn2)CC1.
What is the InChIKey of 1-[2-(4-bromopyrazol-1-yl)ethyl]cyclopropan-1-amine?
The InChIKey is VDWNBGLDAOVPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrN3/c9-7-5-11-12(6-7)4-3-8(10)1-2-8/h5-6H,1-4,10H2.
What are the key properties of 1-[2-(4-bromopyrazol-1-yl)ethyl]cyclopropan-1-amine?
1-[2-(4-bromopyrazol-1-yl)ethyl]cyclopropan-1-amine has a molecular weight of 230.11 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromopyrazol-1-yl)ethyl]cyclopropan-1-amine is sourced from PubChem (CID 84693286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).