(3,5-dimethyl-1H-pyrazol-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone

C12H17F3N4O — CID 61258553

IUPAC(3,5-dimethyl-1H-pyrazol-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
SMILESCc1n[nH]c(C)c1C(=O)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C12H17F3N4O/c1-8-10(9(2)17-16-8)11(20)19-5-3-18(4-6-19)7-12(13,14)15/h3-7H2,1-2H3,(H,16,17)
InChIKeyYKJOCWKOOIXJLG-UHFFFAOYSA-N
MW290.29 g/mol
LogP1.35
Rot. Bonds2

About (3,5-dimethyl-1H-pyrazol-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone

(3,5-dimethyl-1H-pyrazol-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone (PubChem CID 61258553) has the molecular formula C12H17F3N4O and a molecular weight of 290.29 g/mol. Its IUPAC name is (3,5-dimethyl-1H-pyrazol-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethyl-1H-pyrazol-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
PubChem CID61258553
Molecular FormulaC12H17F3N4O
Molecular Weight290.29 g/mol
Exact Mass290.14
IUPAC Name(3,5-dimethyl-1H-pyrazol-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
SMILESCc1n[nH]c(C)c1C(=O)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C12H17F3N4O/c1-8-10(9(2)17-16-8)11(20)19-5-3-18(4-6-19)7-12(13,14)15/h3-7H2,1-2H3,(H,16,17)
InChIKeyYKJOCWKOOIXJLG-UHFFFAOYSA-N
XLogP1.35
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1H-pyrazol-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
The IUPAC name of (3,5-dimethyl-1H-pyrazol-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone (CID 61258553) is (3,5-dimethyl-1H-pyrazol-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3,5-dimethyl-1H-pyrazol-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
The canonical SMILES for (3,5-dimethyl-1H-pyrazol-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone is Cc1n[nH]c(C)c1C(=O)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of (3,5-dimethyl-1H-pyrazol-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
The InChIKey is YKJOCWKOOIXJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O/c1-8-10(9(2)17-16-8)11(20)19-5-3-18(4-6-19)7-12(13,14)15/h3-7H2,1-2H3,(H,16,17).
What are the key properties of (3,5-dimethyl-1H-pyrazol-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
(3,5-dimethyl-1H-pyrazol-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone has a molecular weight of 290.29 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1H-pyrazol-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 61258553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).