[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone

C16H21F3N6O — CID 19279482

IUPAC[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone
SMILESCc1nn(C)cc1CN1CCN(C(=O)c2cc(C(F)(F)F)n(C)n2)CC1
InChIInChI=1S/C16H21F3N6O/c1-11-12(9-22(2)20-11)10-24-4-6-25(7-5-24)15(26)13-8-14(16(17,18)19)23(3)21-13/h8-9H,4-7,10H2,1-3H3
InChIKeyKZBNCADVDIHDRJ-UHFFFAOYSA-N
MW370.38 g/mol
LogP1.44
Rot. Bonds3

About [4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone

[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone (PubChem CID 19279482) has the molecular formula C16H21F3N6O and a molecular weight of 370.38 g/mol. Its IUPAC name is [4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone.

Molecular Properties

Compound Name[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone
PubChem CID19279482
Molecular FormulaC16H21F3N6O
Molecular Weight370.38 g/mol
Exact Mass370.17
IUPAC Name[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone
SMILESCc1nn(C)cc1CN1CCN(C(=O)c2cc(C(F)(F)F)n(C)n2)CC1
InChIInChI=1S/C16H21F3N6O/c1-11-12(9-22(2)20-11)10-24-4-6-25(7-5-24)15(26)13-8-14(16(17,18)19)23(3)21-13/h8-9H,4-7,10H2,1-3H3
InChIKeyKZBNCADVDIHDRJ-UHFFFAOYSA-N
XLogP1.44
TPSA59.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone?
The IUPAC name of [4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone (CID 19279482) is [4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone.
What is the SMILES notation for [4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone?
The canonical SMILES for [4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone is Cc1nn(C)cc1CN1CCN(C(=O)c2cc(C(F)(F)F)n(C)n2)CC1.
What is the InChIKey of [4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone?
The InChIKey is KZBNCADVDIHDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N6O/c1-11-12(9-22(2)20-11)10-24-4-6-25(7-5-24)15(26)13-8-14(16(17,18)19)23(3)21-13/h8-9H,4-7,10H2,1-3H3.
What are the key properties of [4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone?
[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone has a molecular weight of 370.38 g/mol, XLogP of 1.44, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone is sourced from PubChem (CID 19279482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).