4-bromo-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazol-3-amine

C10H18BrN5 — CID 82892603

IUPAC4-bromo-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazol-3-amine
SMILESCN1CCN(CCn2cc(Br)c(N)n2)CC1
InChIInChI=1S/C10H18BrN5/c1-14-2-4-15(5-3-14)6-7-16-8-9(11)10(12)13-16/h8H,2-7H2,1H3,(H2,12,13)
InChIKeyGDLBBVKFHPVLHQ-UHFFFAOYSA-N
MW288.19 g/mol
LogP0.48
Rot. Bonds3

About 4-bromo-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazol-3-amine

4-bromo-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazol-3-amine (PubChem CID 82892603) has the molecular formula C10H18BrN5 and a molecular weight of 288.19 g/mol. Its IUPAC name is 4-bromo-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazol-3-amine.

Molecular Properties

Compound Name4-bromo-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazol-3-amine
PubChem CID82892603
Molecular FormulaC10H18BrN5
Molecular Weight288.19 g/mol
Exact Mass287.07
IUPAC Name4-bromo-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazol-3-amine
SMILESCN1CCN(CCn2cc(Br)c(N)n2)CC1
InChIInChI=1S/C10H18BrN5/c1-14-2-4-15(5-3-14)6-7-16-8-9(11)10(12)13-16/h8H,2-7H2,1H3,(H2,12,13)
InChIKeyGDLBBVKFHPVLHQ-UHFFFAOYSA-N
XLogP0.48
TPSA50.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazol-3-amine?
The IUPAC name of 4-bromo-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazol-3-amine (CID 82892603) is 4-bromo-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazol-3-amine.
What is the SMILES notation for 4-bromo-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazol-3-amine?
The canonical SMILES for 4-bromo-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazol-3-amine is CN1CCN(CCn2cc(Br)c(N)n2)CC1.
What is the InChIKey of 4-bromo-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazol-3-amine?
The InChIKey is GDLBBVKFHPVLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrN5/c1-14-2-4-15(5-3-14)6-7-16-8-9(11)10(12)13-16/h8H,2-7H2,1H3,(H2,12,13).
What are the key properties of 4-bromo-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazol-3-amine?
4-bromo-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazol-3-amine has a molecular weight of 288.19 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazol-3-amine is sourced from PubChem (CID 82892603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).