1-[[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]piperazine

C11H17F3N4 — CID 170071241

IUPAC1-[[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]piperazine
SMILESCc1c(CN2CCNCC2)cnn1CC(F)(F)F
InChIInChI=1S/C11H17F3N4/c1-9-10(7-17-4-2-15-3-5-17)6-16-18(9)8-11(12,13)14/h6,15H,2-5,7-8H2,1H3
InChIKeyPQZVBIPNKSVKCH-UHFFFAOYSA-N
MW262.28 g/mol
LogP1.16
Rot. Bonds3

About 1-[[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]piperazine

1-[[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]piperazine (PubChem CID 170071241) has the molecular formula C11H17F3N4 and a molecular weight of 262.28 g/mol. Its IUPAC name is 1-[[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]piperazine.

Molecular Properties

Compound Name1-[[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]piperazine
PubChem CID170071241
Molecular FormulaC11H17F3N4
Molecular Weight262.28 g/mol
Exact Mass262.14
IUPAC Name1-[[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]piperazine
SMILESCc1c(CN2CCNCC2)cnn1CC(F)(F)F
InChIInChI=1S/C11H17F3N4/c1-9-10(7-17-4-2-15-3-5-17)6-16-18(9)8-11(12,13)14/h6,15H,2-5,7-8H2,1H3
InChIKeyPQZVBIPNKSVKCH-UHFFFAOYSA-N
XLogP1.16
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine
CID 117682896
(1-methyl-5-(trifluoromethyl)-1H-pyrazol-4-yl)methanamine
CID 59818031
(5-methyl-1-(2-methylpropyl)-1H-pyrazol-4-yl)methanamine
CID 60866655
(1-ethyl-5-methyl-1H-pyrazol-4-yl)methanamine
CID 7022221
((1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl)(methyl)amine
CID 7175814
[1-methyl-4-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine
CID 115015283
[4-(difluoromethyl)-1-methyl-1H-pyrazol-3-yl]methanamine
CID 121351490
(cyclopropylmethyl){[3-methyl-1-(2-thiomorpholin-4-ylethyl)-1H-pyrazol-4-yl]methyl}amine
CID 50963716
(1-Ethyl-3-methyl-1H-pyrazol-4-ylmethyl)-methyl-amine
CID 6487607
(1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)methanamine
CID 53487050
1-(1,5-dimethyl-1H-pyrazol-4-yl)-N-methylmethanamine
CID 573114
[5-methyl-1-(propan-2-yl)-1H-pyrazol-4-yl]methanamine
CID 23005613

Frequently Asked Questions

What is the IUPAC name of 1-[[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]piperazine?
The IUPAC name of 1-[[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]piperazine (CID 170071241) is 1-[[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]piperazine.
What is the SMILES notation for 1-[[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]piperazine?
The canonical SMILES for 1-[[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]piperazine is Cc1c(CN2CCNCC2)cnn1CC(F)(F)F.
What is the InChIKey of 1-[[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]piperazine?
The InChIKey is PQZVBIPNKSVKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4/c1-9-10(7-17-4-2-15-3-5-17)6-16-18(9)8-11(12,13)14/h6,15H,2-5,7-8H2,1H3.
What are the key properties of 1-[[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]piperazine?
1-[[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]piperazine has a molecular weight of 262.28 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]piperazine is sourced from PubChem (CID 170071241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).