1-(3-tert-butyl-1-methylpyrazol-4-yl)-3,3,3-trifluoropropan-1-amine

C11H18F3N3 — CID 113404126

IUPAC1-(3-tert-butyl-1-methylpyrazol-4-yl)-3,3,3-trifluoropropan-1-amine
SMILESCn1cc(C(N)CC(F)(F)F)c(C(C)(C)C)n1
InChIInChI=1S/C11H18F3N3/c1-10(2,3)9-7(6-17(4)16-9)8(15)5-11(12,13)14/h6,8H,5,15H2,1-4H3
InChIKeyMFDMRFZHPMNAJC-UHFFFAOYSA-N
MW249.28 g/mol
LogP2.67
Rot. Bonds2

About 1-(3-tert-butyl-1-methylpyrazol-4-yl)-3,3,3-trifluoropropan-1-amine

1-(3-tert-butyl-1-methylpyrazol-4-yl)-3,3,3-trifluoropropan-1-amine (PubChem CID 113404126) has the molecular formula C11H18F3N3 and a molecular weight of 249.28 g/mol. Its IUPAC name is 1-(3-tert-butyl-1-methylpyrazol-4-yl)-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound Name1-(3-tert-butyl-1-methylpyrazol-4-yl)-3,3,3-trifluoropropan-1-amine
PubChem CID113404126
Molecular FormulaC11H18F3N3
Molecular Weight249.28 g/mol
Exact Mass249.15
IUPAC Name1-(3-tert-butyl-1-methylpyrazol-4-yl)-3,3,3-trifluoropropan-1-amine
SMILESCn1cc(C(N)CC(F)(F)F)c(C(C)(C)C)n1
InChIInChI=1S/C11H18F3N3/c1-10(2,3)9-7(6-17(4)16-9)8(15)5-11(12,13)14/h6,8H,5,15H2,1-4H3
InChIKeyMFDMRFZHPMNAJC-UHFFFAOYSA-N
XLogP2.67
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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 1-(3-tert-butyl-1-methylpyrazol-4-yl)-3,3,3-trifluoropropan-1-amine?
The IUPAC name of 1-(3-tert-butyl-1-methylpyrazol-4-yl)-3,3,3-trifluoropropan-1-amine (CID 113404126) is 1-(3-tert-butyl-1-methylpyrazol-4-yl)-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for 1-(3-tert-butyl-1-methylpyrazol-4-yl)-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for 1-(3-tert-butyl-1-methylpyrazol-4-yl)-3,3,3-trifluoropropan-1-amine is Cn1cc(C(N)CC(F)(F)F)c(C(C)(C)C)n1.
What is the InChIKey of 1-(3-tert-butyl-1-methylpyrazol-4-yl)-3,3,3-trifluoropropan-1-amine?
The InChIKey is MFDMRFZHPMNAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3/c1-10(2,3)9-7(6-17(4)16-9)8(15)5-11(12,13)14/h6,8H,5,15H2,1-4H3.
What are the key properties of 1-(3-tert-butyl-1-methylpyrazol-4-yl)-3,3,3-trifluoropropan-1-amine?
1-(3-tert-butyl-1-methylpyrazol-4-yl)-3,3,3-trifluoropropan-1-amine has a molecular weight of 249.28 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butyl-1-methylpyrazol-4-yl)-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 113404126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).