(4-amino-1-ethylpyrazol-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone

C12H17F3N4O — CID 65358090

IUPAC(4-amino-1-ethylpyrazol-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESCCn1cc(N)c(C(=O)N2CCCC(C(F)(F)F)C2)n1
InChIInChI=1S/C12H17F3N4O/c1-2-19-7-9(16)10(17-19)11(20)18-5-3-4-8(6-18)12(13,14)15/h7-8H,2-6,16H2,1H3
InChIKeyXSAYKRPDFSGGMW-UHFFFAOYSA-N
MW290.29 g/mol
LogP1.90
Rot. Bonds2

About (4-amino-1-ethylpyrazol-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone

(4-amino-1-ethylpyrazol-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone (PubChem CID 65358090) has the molecular formula C12H17F3N4O and a molecular weight of 290.29 g/mol. Its IUPAC name is (4-amino-1-ethylpyrazol-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-amino-1-ethylpyrazol-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
PubChem CID65358090
Molecular FormulaC12H17F3N4O
Molecular Weight290.29 g/mol
Exact Mass290.14
IUPAC Name(4-amino-1-ethylpyrazol-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESCCn1cc(N)c(C(=O)N2CCCC(C(F)(F)F)C2)n1
InChIInChI=1S/C12H17F3N4O/c1-2-19-7-9(16)10(17-19)11(20)18-5-3-4-8(6-18)12(13,14)15/h7-8H,2-6,16H2,1H3
InChIKeyXSAYKRPDFSGGMW-UHFFFAOYSA-N
XLogP1.90
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-amino-1-ethylpyrazol-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The IUPAC name of (4-amino-1-ethylpyrazol-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone (CID 65358090) is (4-amino-1-ethylpyrazol-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-amino-1-ethylpyrazol-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The canonical SMILES for (4-amino-1-ethylpyrazol-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone is CCn1cc(N)c(C(=O)N2CCCC(C(F)(F)F)C2)n1.
What is the InChIKey of (4-amino-1-ethylpyrazol-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The InChIKey is XSAYKRPDFSGGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O/c1-2-19-7-9(16)10(17-19)11(20)18-5-3-4-8(6-18)12(13,14)15/h7-8H,2-6,16H2,1H3.
What are the key properties of (4-amino-1-ethylpyrazol-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
(4-amino-1-ethylpyrazol-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone has a molecular weight of 290.29 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1-ethylpyrazol-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 65358090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).