1-(2-methylpyrazol-3-yl)piperazine;bis(2,2,2-trifluoroacetic acid)

C12H16F6N4O4 — CID 135262744

IUPAC1-(2-methylpyrazol-3-yl)piperazine;bis(2,2,2-trifluoroacetic acid)
SMILESCn1nccc1N1CCNCC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C8H14N4.2C2HF3O2/c1-11-8(2-3-10-11)12-6-4-9-5-7-12;2*3-2(4,5)1(6)7/h2-3,9H,4-7H2,1H3;2*(H,6,7)
InChIKeyQEMDUGQFADYCAS-UHFFFAOYSA-N
MW394.27 g/mol
LogP1.10
Rot. Bonds1

About 1-(2-methylpyrazol-3-yl)piperazine;bis(2,2,2-trifluoroacetic acid)

1-(2-methylpyrazol-3-yl)piperazine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 135262744) has the molecular formula C12H16F6N4O4 and a molecular weight of 394.27 g/mol. Its IUPAC name is 1-(2-methylpyrazol-3-yl)piperazine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name1-(2-methylpyrazol-3-yl)piperazine;bis(2,2,2-trifluoroacetic acid)
PubChem CID135262744
Molecular FormulaC12H16F6N4O4
Molecular Weight394.27 g/mol
Exact Mass394.11
IUPAC Name1-(2-methylpyrazol-3-yl)piperazine;bis(2,2,2-trifluoroacetic acid)
SMILESCn1nccc1N1CCNCC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C8H14N4.2C2HF3O2/c1-11-8(2-3-10-11)12-6-4-9-5-7-12;2*3-2(4,5)1(6)7/h2-3,9H,4-7H2,1H3;2*(H,6,7)
InChIKeyQEMDUGQFADYCAS-UHFFFAOYSA-N
XLogP1.10
TPSA107.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.27
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-Ethylpyrazol-3-amine;2,2,2-trifluoroacetic acid
CID 68726135
1-(2-Methylpyrazol-3-yl)-3-(trifluoromethyl)piperazine
CID 141363157
2-amino-1-(6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)ethanone;2,2,2-trifluoroacetic acid
CID 169791058
3-(1-Methylpyrazol-3-yl)-3,6-diazabicyclo[3.1.1]heptane;2,2,2-trifluoroacetic acid
CID 169793500
N-pentyl-1-(2,2,2-trifluoroethyl)pyrazol-3-amine;2,2,2-trifluoroacetic acid
CID 174816464
1-(1H-pyrazol-5-yl)piperazine;bis(2,2,2-trifluoroacetic acid)
CID 175864810
N-(2-ethylpyrazol-3-yl)-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
CID 132970898
4,5,6,7-Tetrahydropyrazolo[1,5-a]pyrimidine 2,2,2-trifluoroacetate
CID 139034668
2-[[2-(Difluoromethyl)pyrazol-3-yl]amino]acetic acid
CID 154882102
1-(2-Propylpyrazol-3-yl)piperazine
CID 63974845
1-(2-Ethylpyrazol-3-yl)piperazine
CID 63977177

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpyrazol-3-yl)piperazine;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 1-(2-methylpyrazol-3-yl)piperazine;bis(2,2,2-trifluoroacetic acid) (CID 135262744) is 1-(2-methylpyrazol-3-yl)piperazine;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 1-(2-methylpyrazol-3-yl)piperazine;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 1-(2-methylpyrazol-3-yl)piperazine;bis(2,2,2-trifluoroacetic acid) is Cn1nccc1N1CCNCC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 1-(2-methylpyrazol-3-yl)piperazine;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is QEMDUGQFADYCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4.2C2HF3O2/c1-11-8(2-3-10-11)12-6-4-9-5-7-12;2*3-2(4,5)1(6)7/h2-3,9H,4-7H2,1H3;2*(H,6,7).
What are the key properties of 1-(2-methylpyrazol-3-yl)piperazine;bis(2,2,2-trifluoroacetic acid)?
1-(2-methylpyrazol-3-yl)piperazine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 394.27 g/mol, XLogP of 1.10, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpyrazol-3-yl)piperazine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 135262744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).