(4-amino-1,3-dimethylpyrazol-5-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone

C12H17F3N4O — CID 66124798

IUPAC(4-amino-1,3-dimethylpyrazol-5-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
SMILESCc1nn(C)c(C(=O)N2CCC(C(F)(F)F)CC2)c1N
InChIInChI=1S/C12H17F3N4O/c1-7-9(16)10(18(2)17-7)11(20)19-5-3-8(4-6-19)12(13,14)15/h8H,3-6,16H2,1-2H3
InChIKeyWMGGOXVVMHCXDM-UHFFFAOYSA-N
MW290.29 g/mol
LogP1.73
Rot. Bonds1

About (4-amino-1,3-dimethylpyrazol-5-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone

(4-amino-1,3-dimethylpyrazol-5-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone (PubChem CID 66124798) has the molecular formula C12H17F3N4O and a molecular weight of 290.29 g/mol. Its IUPAC name is (4-amino-1,3-dimethylpyrazol-5-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-amino-1,3-dimethylpyrazol-5-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
PubChem CID66124798
Molecular FormulaC12H17F3N4O
Molecular Weight290.29 g/mol
Exact Mass290.14
IUPAC Name(4-amino-1,3-dimethylpyrazol-5-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
SMILESCc1nn(C)c(C(=O)N2CCC(C(F)(F)F)CC2)c1N
InChIInChI=1S/C12H17F3N4O/c1-7-9(16)10(18(2)17-7)11(20)19-5-3-8(4-6-19)12(13,14)15/h8H,3-6,16H2,1-2H3
InChIKeyWMGGOXVVMHCXDM-UHFFFAOYSA-N
XLogP1.73
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-amino-1,3-dimethylpyrazol-5-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone?
The IUPAC name of (4-amino-1,3-dimethylpyrazol-5-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone (CID 66124798) is (4-amino-1,3-dimethylpyrazol-5-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-amino-1,3-dimethylpyrazol-5-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone?
The canonical SMILES for (4-amino-1,3-dimethylpyrazol-5-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone is Cc1nn(C)c(C(=O)N2CCC(C(F)(F)F)CC2)c1N.
What is the InChIKey of (4-amino-1,3-dimethylpyrazol-5-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone?
The InChIKey is WMGGOXVVMHCXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O/c1-7-9(16)10(18(2)17-7)11(20)19-5-3-8(4-6-19)12(13,14)15/h8H,3-6,16H2,1-2H3.
What are the key properties of (4-amino-1,3-dimethylpyrazol-5-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone?
(4-amino-1,3-dimethylpyrazol-5-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone has a molecular weight of 290.29 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1,3-dimethylpyrazol-5-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 66124798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).