2-methyl-6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]piperazine

C9H13F3N4 — CID 139343563

IUPAC2-methyl-6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]piperazine
SMILESCC1CNCC(c2cn[nH]c2C(F)(F)F)N1
InChIInChI=1S/C9H13F3N4/c1-5-2-13-4-7(15-5)6-3-14-16-8(6)9(10,11)12/h3,5,7,13,15H,2,4H2,1H3,(H,14,16)
InChIKeyFIIPHPABECMOOL-UHFFFAOYSA-N
MW234.22 g/mol
LogP1.05
Rot. Bonds1

About 2-methyl-6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]piperazine

2-methyl-6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]piperazine (PubChem CID 139343563) has the molecular formula C9H13F3N4 and a molecular weight of 234.22 g/mol. Its IUPAC name is 2-methyl-6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]piperazine.

Molecular Properties

Compound Name2-methyl-6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]piperazine
PubChem CID139343563
Molecular FormulaC9H13F3N4
Molecular Weight234.22 g/mol
Exact Mass234.11
IUPAC Name2-methyl-6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]piperazine
SMILESCC1CNCC(c2cn[nH]c2C(F)(F)F)N1
InChIInChI=1S/C9H13F3N4/c1-5-2-13-4-7(15-5)6-3-14-16-8(6)9(10,11)12/h3,5,7,13,15H,2,4H2,1H3,(H,14,16)
InChIKeyFIIPHPABECMOOL-UHFFFAOYSA-N
XLogP1.05
TPSA52.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]piperazine?
The IUPAC name of 2-methyl-6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]piperazine (CID 139343563) is 2-methyl-6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]piperazine.
What is the SMILES notation for 2-methyl-6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]piperazine?
The canonical SMILES for 2-methyl-6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]piperazine is CC1CNCC(c2cn[nH]c2C(F)(F)F)N1.
What is the InChIKey of 2-methyl-6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]piperazine?
The InChIKey is FIIPHPABECMOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4/c1-5-2-13-4-7(15-5)6-3-14-16-8(6)9(10,11)12/h3,5,7,13,15H,2,4H2,1H3,(H,14,16).
What are the key properties of 2-methyl-6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]piperazine?
2-methyl-6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]piperazine has a molecular weight of 234.22 g/mol, XLogP of 1.05, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]piperazine is sourced from PubChem (CID 139343563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).