1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(trifluoromethyl)pyrazol-5-amine

C11H18F3N5 — CID 155436218

IUPAC1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(trifluoromethyl)pyrazol-5-amine
SMILESCN1CCN(CCn2nc(C(F)(F)F)cc2N)CC1
InChIInChI=1S/C11H18F3N5/c1-17-2-4-18(5-3-17)6-7-19-10(15)8-9(16-19)11(12,13)14/h8H,2-7,15H2,1H3
InChIKeyVZXSCANVUCPRIP-UHFFFAOYSA-N
MW277.29 g/mol
LogP0.73
Rot. Bonds3

About 1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(trifluoromethyl)pyrazol-5-amine

1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(trifluoromethyl)pyrazol-5-amine (PubChem CID 155436218) has the molecular formula C11H18F3N5 and a molecular weight of 277.29 g/mol. Its IUPAC name is 1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(trifluoromethyl)pyrazol-5-amine.

Molecular Properties

Compound Name1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(trifluoromethyl)pyrazol-5-amine
PubChem CID155436218
Molecular FormulaC11H18F3N5
Molecular Weight277.29 g/mol
Exact Mass277.15
IUPAC Name1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(trifluoromethyl)pyrazol-5-amine
SMILESCN1CCN(CCn2nc(C(F)(F)F)cc2N)CC1
InChIInChI=1S/C11H18F3N5/c1-17-2-4-18(5-3-17)6-7-19-10(15)8-9(16-19)11(12,13)14/h8H,2-7,15H2,1H3
InChIKeyVZXSCANVUCPRIP-UHFFFAOYSA-N
XLogP0.73
TPSA50.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(trifluoromethyl)pyrazol-5-amine?
The IUPAC name of 1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(trifluoromethyl)pyrazol-5-amine (CID 155436218) is 1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(trifluoromethyl)pyrazol-5-amine.
What is the SMILES notation for 1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(trifluoromethyl)pyrazol-5-amine?
The canonical SMILES for 1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(trifluoromethyl)pyrazol-5-amine is CN1CCN(CCn2nc(C(F)(F)F)cc2N)CC1.
What is the InChIKey of 1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(trifluoromethyl)pyrazol-5-amine?
The InChIKey is VZXSCANVUCPRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N5/c1-17-2-4-18(5-3-17)6-7-19-10(15)8-9(16-19)11(12,13)14/h8H,2-7,15H2,1H3.
What are the key properties of 1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(trifluoromethyl)pyrazol-5-amine?
1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(trifluoromethyl)pyrazol-5-amine has a molecular weight of 277.29 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(trifluoromethyl)pyrazol-5-amine is sourced from PubChem (CID 155436218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).