(4-amino-1,3-dimethylpyrazol-5-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone

C12H18F3N5O — CID 66125143

IUPAC(4-amino-1,3-dimethylpyrazol-5-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
SMILESCc1nn(C)c(C(=O)N2CCN(CC(F)(F)F)CC2)c1N
InChIInChI=1S/C12H18F3N5O/c1-8-9(16)10(18(2)17-8)11(21)20-5-3-19(4-6-20)7-12(13,14)15/h3-7,16H2,1-2H3
InChIKeyIQYHZUBDNYPFLV-UHFFFAOYSA-N
MW305.30 g/mol
LogP0.63
Rot. Bonds2

About (4-amino-1,3-dimethylpyrazol-5-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone

(4-amino-1,3-dimethylpyrazol-5-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone (PubChem CID 66125143) has the molecular formula C12H18F3N5O and a molecular weight of 305.30 g/mol. Its IUPAC name is (4-amino-1,3-dimethylpyrazol-5-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-amino-1,3-dimethylpyrazol-5-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
PubChem CID66125143
Molecular FormulaC12H18F3N5O
Molecular Weight305.30 g/mol
Exact Mass305.15
IUPAC Name(4-amino-1,3-dimethylpyrazol-5-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
SMILESCc1nn(C)c(C(=O)N2CCN(CC(F)(F)F)CC2)c1N
InChIInChI=1S/C12H18F3N5O/c1-8-9(16)10(18(2)17-8)11(21)20-5-3-19(4-6-20)7-12(13,14)15/h3-7,16H2,1-2H3
InChIKeyIQYHZUBDNYPFLV-UHFFFAOYSA-N
XLogP0.63
TPSA67.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-amino-1,3-dimethylpyrazol-5-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
The IUPAC name of (4-amino-1,3-dimethylpyrazol-5-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone (CID 66125143) is (4-amino-1,3-dimethylpyrazol-5-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-amino-1,3-dimethylpyrazol-5-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-amino-1,3-dimethylpyrazol-5-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone is Cc1nn(C)c(C(=O)N2CCN(CC(F)(F)F)CC2)c1N.
What is the InChIKey of (4-amino-1,3-dimethylpyrazol-5-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
The InChIKey is IQYHZUBDNYPFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N5O/c1-8-9(16)10(18(2)17-8)11(21)20-5-3-19(4-6-20)7-12(13,14)15/h3-7,16H2,1-2H3.
What are the key properties of (4-amino-1,3-dimethylpyrazol-5-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
(4-amino-1,3-dimethylpyrazol-5-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone has a molecular weight of 305.30 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1,3-dimethylpyrazol-5-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 66125143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).