1-(3,5-dimethyl-1H-pyrazol-4-yl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine

C17H21F3N4 — CID 90507437

IUPAC1-(3,5-dimethyl-1H-pyrazol-4-yl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine
SMILESCc1n[nH]c(C)c1N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C17H21F3N4/c1-12-16(13(2)22-21-12)24-9-7-23(8-10-24)11-14-3-5-15(6-4-14)17(18,19)20/h3-6H,7-11H2,1-2H3,(H,21,22)
InChIKeyMPBCXTQQHLEZPV-UHFFFAOYSA-N
MW338.38 g/mol
LogP3.37
Rot. Bonds3

About 1-(3,5-dimethyl-1H-pyrazol-4-yl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine

1-(3,5-dimethyl-1H-pyrazol-4-yl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine (PubChem CID 90507437) has the molecular formula C17H21F3N4 and a molecular weight of 338.38 g/mol. Its IUPAC name is 1-(3,5-dimethyl-1H-pyrazol-4-yl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine.

Molecular Properties

Compound Name1-(3,5-dimethyl-1H-pyrazol-4-yl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine
PubChem CID90507437
Molecular FormulaC17H21F3N4
Molecular Weight338.38 g/mol
Exact Mass338.17
IUPAC Name1-(3,5-dimethyl-1H-pyrazol-4-yl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine
SMILESCc1n[nH]c(C)c1N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C17H21F3N4/c1-12-16(13(2)22-21-12)24-9-7-23(8-10-24)11-14-3-5-15(6-4-14)17(18,19)20/h3-6H,7-11H2,1-2H3,(H,21,22)
InChIKeyMPBCXTQQHLEZPV-UHFFFAOYSA-N
XLogP3.37
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-1H-pyrazol-4-yl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine?
The IUPAC name of 1-(3,5-dimethyl-1H-pyrazol-4-yl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine (CID 90507437) is 1-(3,5-dimethyl-1H-pyrazol-4-yl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine.
What is the SMILES notation for 1-(3,5-dimethyl-1H-pyrazol-4-yl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine?
The canonical SMILES for 1-(3,5-dimethyl-1H-pyrazol-4-yl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine is Cc1n[nH]c(C)c1N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 1-(3,5-dimethyl-1H-pyrazol-4-yl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine?
The InChIKey is MPBCXTQQHLEZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N4/c1-12-16(13(2)22-21-12)24-9-7-23(8-10-24)11-14-3-5-15(6-4-14)17(18,19)20/h3-6H,7-11H2,1-2H3,(H,21,22).
What are the key properties of 1-(3,5-dimethyl-1H-pyrazol-4-yl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine?
1-(3,5-dimethyl-1H-pyrazol-4-yl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine has a molecular weight of 338.38 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-1H-pyrazol-4-yl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine is sourced from PubChem (CID 90507437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).