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

C15H19F3N6O — CID 19514911

IUPAC[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone
SMILESCc1nn(C)cc1CN1CCN(C(=O)c2cc(C(F)(F)F)[nH]n2)CC1
InChIInChI=1S/C15H19F3N6O/c1-10-11(8-22(2)21-10)9-23-3-5-24(6-4-23)14(25)12-7-13(20-19-12)15(16,17)18/h7-8H,3-6,9H2,1-2H3,(H,19,20)
InChIKeyXYKAKDHVQYSOGW-UHFFFAOYSA-N
MW356.35 g/mol
LogP1.43
Rot. Bonds3

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

[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone (PubChem CID 19514911) has the molecular formula C15H19F3N6O and a molecular weight of 356.35 g/mol. Its IUPAC name is [4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone.

Molecular Properties

Compound Name[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone
PubChem CID19514911
Molecular FormulaC15H19F3N6O
Molecular Weight356.35 g/mol
Exact Mass356.16
IUPAC Name[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone
SMILESCc1nn(C)cc1CN1CCN(C(=O)c2cc(C(F)(F)F)[nH]n2)CC1
InChIInChI=1S/C15H19F3N6O/c1-10-11(8-22(2)21-10)9-23-3-5-24(6-4-23)14(25)12-7-13(20-19-12)15(16,17)18/h7-8H,3-6,9H2,1-2H3,(H,19,20)
InChIKeyXYKAKDHVQYSOGW-UHFFFAOYSA-N
XLogP1.43
TPSA70.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.35
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone?
The IUPAC name of [4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone (CID 19514911) is [4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone.
What is the SMILES notation for [4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone?
The canonical SMILES for [4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone is Cc1nn(C)cc1CN1CCN(C(=O)c2cc(C(F)(F)F)[nH]n2)CC1.
What is the InChIKey of [4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone?
The InChIKey is XYKAKDHVQYSOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N6O/c1-10-11(8-22(2)21-10)9-23-3-5-24(6-4-23)14(25)12-7-13(20-19-12)15(16,17)18/h7-8H,3-6,9H2,1-2H3,(H,19,20).
What are the key properties of [4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone?
[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone has a molecular weight of 356.35 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone is sourced from PubChem (CID 19514911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).