1-(2-methylpyrazol-3-yl)-3-(trifluoromethyl)piperazine

C9H13F3N4 — CID 141363157

IUPAC1-(2-methylpyrazol-3-yl)-3-(trifluoromethyl)piperazine
SMILESCn1nccc1N1CCNC(C(F)(F)F)C1
InChIInChI=1S/C9H13F3N4/c1-15-8(2-3-14-15)16-5-4-13-7(6-16)9(10,11)12/h2-3,7,13H,4-6H2,1H3
InChIKeyFPESORFRSHGSQL-UHFFFAOYSA-N
MW234.22 g/mol
LogP0.76
Rot. Bonds1

About 1-(2-methylpyrazol-3-yl)-3-(trifluoromethyl)piperazine

1-(2-methylpyrazol-3-yl)-3-(trifluoromethyl)piperazine (PubChem CID 141363157) has the molecular formula C9H13F3N4 and a molecular weight of 234.22 g/mol. Its IUPAC name is 1-(2-methylpyrazol-3-yl)-3-(trifluoromethyl)piperazine.

Molecular Properties

Compound Name1-(2-methylpyrazol-3-yl)-3-(trifluoromethyl)piperazine
PubChem CID141363157
Molecular FormulaC9H13F3N4
Molecular Weight234.22 g/mol
Exact Mass234.11
IUPAC Name1-(2-methylpyrazol-3-yl)-3-(trifluoromethyl)piperazine
SMILESCn1nccc1N1CCNC(C(F)(F)F)C1
InChIInChI=1S/C9H13F3N4/c1-15-8(2-3-14-15)16-5-4-13-7(6-16)9(10,11)12/h2-3,7,13H,4-6H2,1H3
InChIKeyFPESORFRSHGSQL-UHFFFAOYSA-N
XLogP0.76
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-methylpiperidin-4-yl)-1H-pyrazol-5-amine
CID 1084924
2-Piperidin-4-yl-2H-pyrazol-3-ylamine
CID 649859
3-Pyrrolidinamine, 1-(1-methyl-1H-pyrazol-3-yl)-
CID 54594181
N-methyl-1-(propan-2-yl)-1H-pyrazol-5-amine
CID 63090550
N-(2-Aminoethyl)-1-methyl-1H-pyrazol-3-amine
CID 84076076
7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo(1,5-a)pyrimidine
CID 135624510
4H,5H,6H,7H-pyrazolo(1,5-a)pyrimidine
CID 135627629
N1-(1-methyl-1H-pyrazol-5-yl)ethane-1,2-diamine dihydrochloride
CID 86775402
1-(2,2-difluoroethyl)-N-pentan-3-ylpyrazol-3-amine
CID 75483532
1-methyl-N-[1-(3-methylbutyl)pyrazol-3-yl]piperidin-4-amine
CID 75483546
1-(2,2-difluoroethyl)-N-[(1S)-1-(1-methylpiperidin-4-yl)ethyl]pyrazol-3-amine
CID 97797578
1-[1-(4-Cyanobutan-2-yl)pyrazol-3-yl]-2-(2,2,2-trifluoroethyl)guanidine
CID 20451294

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpyrazol-3-yl)-3-(trifluoromethyl)piperazine?
The IUPAC name of 1-(2-methylpyrazol-3-yl)-3-(trifluoromethyl)piperazine (CID 141363157) is 1-(2-methylpyrazol-3-yl)-3-(trifluoromethyl)piperazine.
What is the SMILES notation for 1-(2-methylpyrazol-3-yl)-3-(trifluoromethyl)piperazine?
The canonical SMILES for 1-(2-methylpyrazol-3-yl)-3-(trifluoromethyl)piperazine is Cn1nccc1N1CCNC(C(F)(F)F)C1.
What is the InChIKey of 1-(2-methylpyrazol-3-yl)-3-(trifluoromethyl)piperazine?
The InChIKey is FPESORFRSHGSQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4/c1-15-8(2-3-14-15)16-5-4-13-7(6-16)9(10,11)12/h2-3,7,13H,4-6H2,1H3.
What are the key properties of 1-(2-methylpyrazol-3-yl)-3-(trifluoromethyl)piperazine?
1-(2-methylpyrazol-3-yl)-3-(trifluoromethyl)piperazine has a molecular weight of 234.22 g/mol, XLogP of 0.76, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpyrazol-3-yl)-3-(trifluoromethyl)piperazine is sourced from PubChem (CID 141363157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).