1-[(4-tert-butyl-1,5-dimethylpyrazol-3-yl)methyl]-4-(2,2,2-trifluoroethyl)piperazine

C16H27F3N4 — CID 142466657

IUPAC1-[(4-tert-butyl-1,5-dimethylpyrazol-3-yl)methyl]-4-(2,2,2-trifluoroethyl)piperazine
SMILESCc1c(C(C)(C)C)c(CN2CCN(CC(F)(F)F)CC2)nn1C
InChIInChI=1S/C16H27F3N4/c1-12-14(15(2,3)4)13(20-21(12)5)10-22-6-8-23(9-7-22)11-16(17,18)19/h6-11H2,1-5H3
InChIKeyIDRYPDLMQCBZEY-UHFFFAOYSA-N
MW332.41 g/mol
LogP2.71
Rot. Bonds3

About 1-[(4-tert-butyl-1,5-dimethylpyrazol-3-yl)methyl]-4-(2,2,2-trifluoroethyl)piperazine

1-[(4-tert-butyl-1,5-dimethylpyrazol-3-yl)methyl]-4-(2,2,2-trifluoroethyl)piperazine (PubChem CID 142466657) has the molecular formula C16H27F3N4 and a molecular weight of 332.41 g/mol. Its IUPAC name is 1-[(4-tert-butyl-1,5-dimethylpyrazol-3-yl)methyl]-4-(2,2,2-trifluoroethyl)piperazine.

Molecular Properties

Compound Name1-[(4-tert-butyl-1,5-dimethylpyrazol-3-yl)methyl]-4-(2,2,2-trifluoroethyl)piperazine
PubChem CID142466657
Molecular FormulaC16H27F3N4
Molecular Weight332.41 g/mol
Exact Mass332.22
IUPAC Name1-[(4-tert-butyl-1,5-dimethylpyrazol-3-yl)methyl]-4-(2,2,2-trifluoroethyl)piperazine
SMILESCc1c(C(C)(C)C)c(CN2CCN(CC(F)(F)F)CC2)nn1C
InChIInChI=1S/C16H27F3N4/c1-12-14(15(2,3)4)13(20-21(12)5)10-22-6-8-23(9-7-22)11-16(17,18)19/h6-11H2,1-5H3
InChIKeyIDRYPDLMQCBZEY-UHFFFAOYSA-N
XLogP2.71
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-tert-butyl-1,5-dimethylpyrazol-3-yl)methyl]-4-(2,2,2-trifluoroethyl)piperazine?
The IUPAC name of 1-[(4-tert-butyl-1,5-dimethylpyrazol-3-yl)methyl]-4-(2,2,2-trifluoroethyl)piperazine (CID 142466657) is 1-[(4-tert-butyl-1,5-dimethylpyrazol-3-yl)methyl]-4-(2,2,2-trifluoroethyl)piperazine.
What is the SMILES notation for 1-[(4-tert-butyl-1,5-dimethylpyrazol-3-yl)methyl]-4-(2,2,2-trifluoroethyl)piperazine?
The canonical SMILES for 1-[(4-tert-butyl-1,5-dimethylpyrazol-3-yl)methyl]-4-(2,2,2-trifluoroethyl)piperazine is Cc1c(C(C)(C)C)c(CN2CCN(CC(F)(F)F)CC2)nn1C.
What is the InChIKey of 1-[(4-tert-butyl-1,5-dimethylpyrazol-3-yl)methyl]-4-(2,2,2-trifluoroethyl)piperazine?
The InChIKey is IDRYPDLMQCBZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27F3N4/c1-12-14(15(2,3)4)13(20-21(12)5)10-22-6-8-23(9-7-22)11-16(17,18)19/h6-11H2,1-5H3.
What are the key properties of 1-[(4-tert-butyl-1,5-dimethylpyrazol-3-yl)methyl]-4-(2,2,2-trifluoroethyl)piperazine?
1-[(4-tert-butyl-1,5-dimethylpyrazol-3-yl)methyl]-4-(2,2,2-trifluoroethyl)piperazine has a molecular weight of 332.41 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-tert-butyl-1,5-dimethylpyrazol-3-yl)methyl]-4-(2,2,2-trifluoroethyl)piperazine is sourced from PubChem (CID 142466657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).