1-(3,5-dimethyl-1H-pyrazol-4-yl)-2,2,2-trifluoro-N,N-dimethylethanamine

C9H14F3N3 — CID 134440628

IUPAC1-(3,5-dimethyl-1H-pyrazol-4-yl)-2,2,2-trifluoro-N,N-dimethylethanamine
SMILESCc1n[nH]c(C)c1C(N(C)C)C(F)(F)F
InChIInChI=1S/C9H14F3N3/c1-5-7(6(2)14-13-5)8(15(3)4)9(10,11)12/h8H,1-4H3,(H,13,14)
InChIKeyJSMMLDNCKWKRAG-UHFFFAOYSA-N
MW221.23 g/mol
LogP2.19
Rot. Bonds2

About 1-(3,5-dimethyl-1H-pyrazol-4-yl)-2,2,2-trifluoro-N,N-dimethylethanamine

1-(3,5-dimethyl-1H-pyrazol-4-yl)-2,2,2-trifluoro-N,N-dimethylethanamine (PubChem CID 134440628) has the molecular formula C9H14F3N3 and a molecular weight of 221.23 g/mol. Its IUPAC name is 1-(3,5-dimethyl-1H-pyrazol-4-yl)-2,2,2-trifluoro-N,N-dimethylethanamine.

Molecular Properties

Compound Name1-(3,5-dimethyl-1H-pyrazol-4-yl)-2,2,2-trifluoro-N,N-dimethylethanamine
PubChem CID134440628
Molecular FormulaC9H14F3N3
Molecular Weight221.23 g/mol
Exact Mass221.11
IUPAC Name1-(3,5-dimethyl-1H-pyrazol-4-yl)-2,2,2-trifluoro-N,N-dimethylethanamine
SMILESCc1n[nH]c(C)c1C(N(C)C)C(F)(F)F
InChIInChI=1S/C9H14F3N3/c1-5-7(6(2)14-13-5)8(15(3)4)9(10,11)12/h8H,1-4H3,(H,13,14)
InChIKeyJSMMLDNCKWKRAG-UHFFFAOYSA-N
XLogP2.19
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-1H-pyrazol-4-yl)-2,2,2-trifluoro-N,N-dimethylethanamine?
The IUPAC name of 1-(3,5-dimethyl-1H-pyrazol-4-yl)-2,2,2-trifluoro-N,N-dimethylethanamine (CID 134440628) is 1-(3,5-dimethyl-1H-pyrazol-4-yl)-2,2,2-trifluoro-N,N-dimethylethanamine.
What is the SMILES notation for 1-(3,5-dimethyl-1H-pyrazol-4-yl)-2,2,2-trifluoro-N,N-dimethylethanamine?
The canonical SMILES for 1-(3,5-dimethyl-1H-pyrazol-4-yl)-2,2,2-trifluoro-N,N-dimethylethanamine is Cc1n[nH]c(C)c1C(N(C)C)C(F)(F)F.
What is the InChIKey of 1-(3,5-dimethyl-1H-pyrazol-4-yl)-2,2,2-trifluoro-N,N-dimethylethanamine?
The InChIKey is JSMMLDNCKWKRAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3/c1-5-7(6(2)14-13-5)8(15(3)4)9(10,11)12/h8H,1-4H3,(H,13,14).
What are the key properties of 1-(3,5-dimethyl-1H-pyrazol-4-yl)-2,2,2-trifluoro-N,N-dimethylethanamine?
1-(3,5-dimethyl-1H-pyrazol-4-yl)-2,2,2-trifluoro-N,N-dimethylethanamine has a molecular weight of 221.23 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-1H-pyrazol-4-yl)-2,2,2-trifluoro-N,N-dimethylethanamine is sourced from PubChem (CID 134440628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).