1-(1-methyl-4-nitrosopyrazol-5-yl)-3-(trifluoromethyl)piperazine

C9H12F3N5O — CID 89484165

IUPAC1-(1-methyl-4-nitrosopyrazol-5-yl)-3-(trifluoromethyl)piperazine
SMILESCn1ncc(N=O)c1N1CCNC(C(F)(F)F)C1
InChIInChI=1S/C9H12F3N5O/c1-16-8(6(15-18)4-14-16)17-3-2-13-7(5-17)9(10,11)12/h4,7,13H,2-3,5H2,1H3
InChIKeyWUUICZUOBZSEIL-UHFFFAOYSA-N
MW263.22 g/mol
LogP1.16
Rot. Bonds2

About 1-(1-methyl-4-nitrosopyrazol-5-yl)-3-(trifluoromethyl)piperazine

1-(1-methyl-4-nitrosopyrazol-5-yl)-3-(trifluoromethyl)piperazine (PubChem CID 89484165) has the molecular formula C9H12F3N5O and a molecular weight of 263.22 g/mol. Its IUPAC name is 1-(1-methyl-4-nitrosopyrazol-5-yl)-3-(trifluoromethyl)piperazine.

Molecular Properties

Compound Name1-(1-methyl-4-nitrosopyrazol-5-yl)-3-(trifluoromethyl)piperazine
PubChem CID89484165
Molecular FormulaC9H12F3N5O
Molecular Weight263.22 g/mol
Exact Mass263.10
IUPAC Name1-(1-methyl-4-nitrosopyrazol-5-yl)-3-(trifluoromethyl)piperazine
SMILESCn1ncc(N=O)c1N1CCNC(C(F)(F)F)C1
InChIInChI=1S/C9H12F3N5O/c1-16-8(6(15-18)4-14-16)17-3-2-13-7(5-17)9(10,11)12/h4,7,13H,2-3,5H2,1H3
InChIKeyWUUICZUOBZSEIL-UHFFFAOYSA-N
XLogP1.16
TPSA62.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-4-nitrosopyrazol-5-yl)-3-(trifluoromethyl)piperazine?
The IUPAC name of 1-(1-methyl-4-nitrosopyrazol-5-yl)-3-(trifluoromethyl)piperazine (CID 89484165) is 1-(1-methyl-4-nitrosopyrazol-5-yl)-3-(trifluoromethyl)piperazine.
What is the SMILES notation for 1-(1-methyl-4-nitrosopyrazol-5-yl)-3-(trifluoromethyl)piperazine?
The canonical SMILES for 1-(1-methyl-4-nitrosopyrazol-5-yl)-3-(trifluoromethyl)piperazine is Cn1ncc(N=O)c1N1CCNC(C(F)(F)F)C1.
What is the InChIKey of 1-(1-methyl-4-nitrosopyrazol-5-yl)-3-(trifluoromethyl)piperazine?
The InChIKey is WUUICZUOBZSEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N5O/c1-16-8(6(15-18)4-14-16)17-3-2-13-7(5-17)9(10,11)12/h4,7,13H,2-3,5H2,1H3.
What are the key properties of 1-(1-methyl-4-nitrosopyrazol-5-yl)-3-(trifluoromethyl)piperazine?
1-(1-methyl-4-nitrosopyrazol-5-yl)-3-(trifluoromethyl)piperazine has a molecular weight of 263.22 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-4-nitrosopyrazol-5-yl)-3-(trifluoromethyl)piperazine is sourced from PubChem (CID 89484165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).