4-methyl-N-(3,3,3-trifluoro-2,2-dimethylpropyl)-1H-pyrazol-5-amine

C9H14F3N3 — CID 166703183

IUPAC4-methyl-N-(3,3,3-trifluoro-2,2-dimethylpropyl)-1H-pyrazol-5-amine
SMILESCc1cn[nH]c1NCC(C)(C)C(F)(F)F
InChIInChI=1S/C9H14F3N3/c1-6-4-14-15-7(6)13-5-8(2,3)9(10,11)12/h4H,5H2,1-3H3,(H2,13,14,15)
InChIKeyDLQLQCCJEXTKGN-UHFFFAOYSA-N
MW221.23 g/mol
LogP2.72
Rot. Bonds3

About 4-methyl-N-(3,3,3-trifluoro-2,2-dimethylpropyl)-1H-pyrazol-5-amine

4-methyl-N-(3,3,3-trifluoro-2,2-dimethylpropyl)-1H-pyrazol-5-amine (PubChem CID 166703183) has the molecular formula C9H14F3N3 and a molecular weight of 221.23 g/mol. Its IUPAC name is 4-methyl-N-(3,3,3-trifluoro-2,2-dimethylpropyl)-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-methyl-N-(3,3,3-trifluoro-2,2-dimethylpropyl)-1H-pyrazol-5-amine
PubChem CID166703183
Molecular FormulaC9H14F3N3
Molecular Weight221.23 g/mol
Exact Mass221.11
IUPAC Name4-methyl-N-(3,3,3-trifluoro-2,2-dimethylpropyl)-1H-pyrazol-5-amine
SMILESCc1cn[nH]c1NCC(C)(C)C(F)(F)F
InChIInChI=1S/C9H14F3N3/c1-6-4-14-15-7(6)13-5-8(2,3)9(10,11)12/h4H,5H2,1-3H3,(H2,13,14,15)
InChIKeyDLQLQCCJEXTKGN-UHFFFAOYSA-N
XLogP2.72
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3,3,3-trifluoro-2,2-dimethylpropyl)-1H-pyrazol-5-amine?
The IUPAC name of 4-methyl-N-(3,3,3-trifluoro-2,2-dimethylpropyl)-1H-pyrazol-5-amine (CID 166703183) is 4-methyl-N-(3,3,3-trifluoro-2,2-dimethylpropyl)-1H-pyrazol-5-amine.
What is the SMILES notation for 4-methyl-N-(3,3,3-trifluoro-2,2-dimethylpropyl)-1H-pyrazol-5-amine?
The canonical SMILES for 4-methyl-N-(3,3,3-trifluoro-2,2-dimethylpropyl)-1H-pyrazol-5-amine is Cc1cn[nH]c1NCC(C)(C)C(F)(F)F.
What is the InChIKey of 4-methyl-N-(3,3,3-trifluoro-2,2-dimethylpropyl)-1H-pyrazol-5-amine?
The InChIKey is DLQLQCCJEXTKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3/c1-6-4-14-15-7(6)13-5-8(2,3)9(10,11)12/h4H,5H2,1-3H3,(H2,13,14,15).
What are the key properties of 4-methyl-N-(3,3,3-trifluoro-2,2-dimethylpropyl)-1H-pyrazol-5-amine?
4-methyl-N-(3,3,3-trifluoro-2,2-dimethylpropyl)-1H-pyrazol-5-amine has a molecular weight of 221.23 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3,3,3-trifluoro-2,2-dimethylpropyl)-1H-pyrazol-5-amine is sourced from PubChem (CID 166703183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).