1-[1,3-dimethyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-yl]butan-2-amine

C13H18F3N5 — CID 63815738

IUPAC1-[1,3-dimethyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-yl]butan-2-amine
SMILESCCC(N)Cc1c(C)nn(C)c1-n1ccc(C(F)(F)F)n1
InChIInChI=1S/C13H18F3N5/c1-4-9(17)7-10-8(2)18-20(3)12(10)21-6-5-11(19-21)13(14,15)16/h5-6,9H,4,7,17H2,1-3H3
InChIKeyULOZVFOHZZZZKF-UHFFFAOYSA-N
MW301.32 g/mol
LogP2.21
Rot. Bonds4

About 1-[1,3-dimethyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-yl]butan-2-amine

1-[1,3-dimethyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-yl]butan-2-amine (PubChem CID 63815738) has the molecular formula C13H18F3N5 and a molecular weight of 301.32 g/mol. Its IUPAC name is 1-[1,3-dimethyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-yl]butan-2-amine.

Molecular Properties

Compound Name1-[1,3-dimethyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-yl]butan-2-amine
PubChem CID63815738
Molecular FormulaC13H18F3N5
Molecular Weight301.32 g/mol
Exact Mass301.15
IUPAC Name1-[1,3-dimethyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-yl]butan-2-amine
SMILESCCC(N)Cc1c(C)nn(C)c1-n1ccc(C(F)(F)F)n1
InChIInChI=1S/C13H18F3N5/c1-4-9(17)7-10-8(2)18-20(3)12(10)21-6-5-11(19-21)13(14,15)16/h5-6,9H,4,7,17H2,1-3H3
InChIKeyULOZVFOHZZZZKF-UHFFFAOYSA-N
XLogP2.21
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1,3-dimethyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-yl]butan-2-amine?
The IUPAC name of 1-[1,3-dimethyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-yl]butan-2-amine (CID 63815738) is 1-[1,3-dimethyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-yl]butan-2-amine.
What is the SMILES notation for 1-[1,3-dimethyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-yl]butan-2-amine?
The canonical SMILES for 1-[1,3-dimethyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-yl]butan-2-amine is CCC(N)Cc1c(C)nn(C)c1-n1ccc(C(F)(F)F)n1.
What is the InChIKey of 1-[1,3-dimethyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-yl]butan-2-amine?
The InChIKey is ULOZVFOHZZZZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N5/c1-4-9(17)7-10-8(2)18-20(3)12(10)21-6-5-11(19-21)13(14,15)16/h5-6,9H,4,7,17H2,1-3H3.
What are the key properties of 1-[1,3-dimethyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-yl]butan-2-amine?
1-[1,3-dimethyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-yl]butan-2-amine has a molecular weight of 301.32 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,3-dimethyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-yl]butan-2-amine is sourced from PubChem (CID 63815738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).