3-methyl-1-propan-2-yl-5-[4-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-amine

C11H14F3N5 — CID 66024394

IUPAC3-methyl-1-propan-2-yl-5-[4-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-amine
SMILESCc1nn(C(C)C)c(-n2cc(C(F)(F)F)cn2)c1N
InChIInChI=1S/C11H14F3N5/c1-6(2)19-10(9(15)7(3)17-19)18-5-8(4-16-18)11(12,13)14/h4-6H,15H2,1-3H3
InChIKeyRAOOLDHCFOHJRK-UHFFFAOYSA-N
MW273.26 g/mol
LogP2.56
Rot. Bonds2

About 3-methyl-1-propan-2-yl-5-[4-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-amine

3-methyl-1-propan-2-yl-5-[4-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-amine (PubChem CID 66024394) has the molecular formula C11H14F3N5 and a molecular weight of 273.26 g/mol. Its IUPAC name is 3-methyl-1-propan-2-yl-5-[4-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-amine.

Molecular Properties

Compound Name3-methyl-1-propan-2-yl-5-[4-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-amine
PubChem CID66024394
Molecular FormulaC11H14F3N5
Molecular Weight273.26 g/mol
Exact Mass273.12
IUPAC Name3-methyl-1-propan-2-yl-5-[4-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-amine
SMILESCc1nn(C(C)C)c(-n2cc(C(F)(F)F)cn2)c1N
InChIInChI=1S/C11H14F3N5/c1-6(2)19-10(9(15)7(3)17-19)18-5-8(4-16-18)11(12,13)14/h4-6H,15H2,1-3H3
InChIKeyRAOOLDHCFOHJRK-UHFFFAOYSA-N
XLogP2.56
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-propan-2-yl-5-[4-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-amine?
The IUPAC name of 3-methyl-1-propan-2-yl-5-[4-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-amine (CID 66024394) is 3-methyl-1-propan-2-yl-5-[4-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-amine.
What is the SMILES notation for 3-methyl-1-propan-2-yl-5-[4-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-amine?
The canonical SMILES for 3-methyl-1-propan-2-yl-5-[4-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-amine is Cc1nn(C(C)C)c(-n2cc(C(F)(F)F)cn2)c1N.
What is the InChIKey of 3-methyl-1-propan-2-yl-5-[4-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-amine?
The InChIKey is RAOOLDHCFOHJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N5/c1-6(2)19-10(9(15)7(3)17-19)18-5-8(4-16-18)11(12,13)14/h4-6H,15H2,1-3H3.
What are the key properties of 3-methyl-1-propan-2-yl-5-[4-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-amine?
3-methyl-1-propan-2-yl-5-[4-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-amine has a molecular weight of 273.26 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-propan-2-yl-5-[4-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-amine is sourced from PubChem (CID 66024394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).