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

C11H14F3N5 — CID 66017556

IUPAC1-methyl-3-propyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-amine
SMILESCCCc1nn(C)c(-n2cc(C(F)(F)F)cn2)c1N
InChIInChI=1S/C11H14F3N5/c1-3-4-8-9(15)10(18(2)17-8)19-6-7(5-16-19)11(12,13)14/h5-6H,3-4,15H2,1-2H3
InChIKeyLEXWKIDHJGEAEA-UHFFFAOYSA-N
MW273.26 g/mol
LogP2.16
Rot. Bonds3

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

1-methyl-3-propyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-amine (PubChem CID 66017556) has the molecular formula C11H14F3N5 and a molecular weight of 273.26 g/mol. Its IUPAC name is 1-methyl-3-propyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-amine.

Molecular Properties

Compound Name1-methyl-3-propyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-amine
PubChem CID66017556
Molecular FormulaC11H14F3N5
Molecular Weight273.26 g/mol
Exact Mass273.12
IUPAC Name1-methyl-3-propyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-amine
SMILESCCCc1nn(C)c(-n2cc(C(F)(F)F)cn2)c1N
InChIInChI=1S/C11H14F3N5/c1-3-4-8-9(15)10(18(2)17-8)19-6-7(5-16-19)11(12,13)14/h5-6H,3-4,15H2,1-2H3
InChIKeyLEXWKIDHJGEAEA-UHFFFAOYSA-N
XLogP2.16
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-methyl-3-propyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-amine 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 1-methyl-3-propyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-amine?
The IUPAC name of 1-methyl-3-propyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-amine (CID 66017556) is 1-methyl-3-propyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-amine.
What is the SMILES notation for 1-methyl-3-propyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-amine?
The canonical SMILES for 1-methyl-3-propyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-amine is CCCc1nn(C)c(-n2cc(C(F)(F)F)cn2)c1N.
What is the InChIKey of 1-methyl-3-propyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-amine?
The InChIKey is LEXWKIDHJGEAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N5/c1-3-4-8-9(15)10(18(2)17-8)19-6-7(5-16-19)11(12,13)14/h5-6H,3-4,15H2,1-2H3.
What are the key properties of 1-methyl-3-propyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-amine?
1-methyl-3-propyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-amine has a molecular weight of 273.26 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-propyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-amine is sourced from PubChem (CID 66017556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).