3-[2,2-dimethyl-3-(trifluoromethyl)pyrrolidin-1-yl]-1-methylpyrazol-4-amine

C11H17F3N4 — CID 114271750

IUPAC3-[2,2-dimethyl-3-(trifluoromethyl)pyrrolidin-1-yl]-1-methylpyrazol-4-amine
SMILESCn1cc(N)c(N2CCC(C(F)(F)F)C2(C)C)n1
InChIInChI=1S/C11H17F3N4/c1-10(2)8(11(12,13)14)4-5-18(10)9-7(15)6-17(3)16-9/h6,8H,4-5,15H2,1-3H3
InChIKeyDAFMRXPBOGAWDC-UHFFFAOYSA-N
MW262.28 g/mol
LogP2.17
Rot. Bonds1

About 3-[2,2-dimethyl-3-(trifluoromethyl)pyrrolidin-1-yl]-1-methylpyrazol-4-amine

3-[2,2-dimethyl-3-(trifluoromethyl)pyrrolidin-1-yl]-1-methylpyrazol-4-amine (PubChem CID 114271750) has the molecular formula C11H17F3N4 and a molecular weight of 262.28 g/mol. Its IUPAC name is 3-[2,2-dimethyl-3-(trifluoromethyl)pyrrolidin-1-yl]-1-methylpyrazol-4-amine.

Molecular Properties

Compound Name3-[2,2-dimethyl-3-(trifluoromethyl)pyrrolidin-1-yl]-1-methylpyrazol-4-amine
PubChem CID114271750
Molecular FormulaC11H17F3N4
Molecular Weight262.28 g/mol
Exact Mass262.14
IUPAC Name3-[2,2-dimethyl-3-(trifluoromethyl)pyrrolidin-1-yl]-1-methylpyrazol-4-amine
SMILESCn1cc(N)c(N2CCC(C(F)(F)F)C2(C)C)n1
InChIInChI=1S/C11H17F3N4/c1-10(2)8(11(12,13)14)4-5-18(10)9-7(15)6-17(3)16-9/h6,8H,4-5,15H2,1-3H3
InChIKeyDAFMRXPBOGAWDC-UHFFFAOYSA-N
XLogP2.17
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2,2-dimethyl-3-(trifluoromethyl)pyrrolidin-1-yl]-1-methylpyrazol-4-amine?
The IUPAC name of 3-[2,2-dimethyl-3-(trifluoromethyl)pyrrolidin-1-yl]-1-methylpyrazol-4-amine (CID 114271750) is 3-[2,2-dimethyl-3-(trifluoromethyl)pyrrolidin-1-yl]-1-methylpyrazol-4-amine.
What is the SMILES notation for 3-[2,2-dimethyl-3-(trifluoromethyl)pyrrolidin-1-yl]-1-methylpyrazol-4-amine?
The canonical SMILES for 3-[2,2-dimethyl-3-(trifluoromethyl)pyrrolidin-1-yl]-1-methylpyrazol-4-amine is Cn1cc(N)c(N2CCC(C(F)(F)F)C2(C)C)n1.
What is the InChIKey of 3-[2,2-dimethyl-3-(trifluoromethyl)pyrrolidin-1-yl]-1-methylpyrazol-4-amine?
The InChIKey is DAFMRXPBOGAWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4/c1-10(2)8(11(12,13)14)4-5-18(10)9-7(15)6-17(3)16-9/h6,8H,4-5,15H2,1-3H3.
What are the key properties of 3-[2,2-dimethyl-3-(trifluoromethyl)pyrrolidin-1-yl]-1-methylpyrazol-4-amine?
3-[2,2-dimethyl-3-(trifluoromethyl)pyrrolidin-1-yl]-1-methylpyrazol-4-amine has a molecular weight of 262.28 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,2-dimethyl-3-(trifluoromethyl)pyrrolidin-1-yl]-1-methylpyrazol-4-amine is sourced from PubChem (CID 114271750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).