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

C11H18F3N3 — CID 65255685

IUPAC2,2-dimethyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pentan-1-amine
SMILESCC(C)(CN)CCCn1cc(C(F)(F)F)cn1
InChIInChI=1S/C11H18F3N3/c1-10(2,8-15)4-3-5-17-7-9(6-16-17)11(12,13)14/h6-7H,3-5,8,15H2,1-2H3
InChIKeyPYNRRBVAKWMNKQ-UHFFFAOYSA-N
MW249.28 g/mol
LogP2.67
Rot. Bonds5

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

2,2-dimethyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pentan-1-amine (PubChem CID 65255685) has the molecular formula C11H18F3N3 and a molecular weight of 249.28 g/mol. Its IUPAC name is 2,2-dimethyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pentan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pentan-1-amine
PubChem CID65255685
Molecular FormulaC11H18F3N3
Molecular Weight249.28 g/mol
Exact Mass249.15
IUPAC Name2,2-dimethyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pentan-1-amine
SMILESCC(C)(CN)CCCn1cc(C(F)(F)F)cn1
InChIInChI=1S/C11H18F3N3/c1-10(2,8-15)4-3-5-17-7-9(6-16-17)11(12,13)14/h6-7H,3-5,8,15H2,1-2H3
InChIKeyPYNRRBVAKWMNKQ-UHFFFAOYSA-N
XLogP2.67
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pentan-1-amine?
The IUPAC name of 2,2-dimethyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pentan-1-amine (CID 65255685) is 2,2-dimethyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pentan-1-amine.
What is the SMILES notation for 2,2-dimethyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pentan-1-amine?
The canonical SMILES for 2,2-dimethyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pentan-1-amine is CC(C)(CN)CCCn1cc(C(F)(F)F)cn1.
What is the InChIKey of 2,2-dimethyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pentan-1-amine?
The InChIKey is PYNRRBVAKWMNKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3/c1-10(2,8-15)4-3-5-17-7-9(6-16-17)11(12,13)14/h6-7H,3-5,8,15H2,1-2H3.
What are the key properties of 2,2-dimethyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pentan-1-amine?
2,2-dimethyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pentan-1-amine has a molecular weight of 249.28 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pentan-1-amine is sourced from PubChem (CID 65255685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).