(2R)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propan-1-amine

C9H14F3N3 — CID 42574565

IUPAC(2R)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propan-1-amine
SMILESCc1cc(C(F)(F)F)n(C[C@H](C)CN)n1
InChIInChI=1S/C9H14F3N3/c1-6(4-13)5-15-8(9(10,11)12)3-7(2)14-15/h3,6H,4-5,13H2,1-2H3/t6-/m1/s1
InChIKeyKXBCPRSVJPVCNI-ZCFIWIBFSA-N
MW221.23 g/mol
LogP1.81
Rot. Bonds3

About (2R)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propan-1-amine

(2R)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propan-1-amine (PubChem CID 42574565) has the molecular formula C9H14F3N3 and a molecular weight of 221.23 g/mol. Its IUPAC name is (2R)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propan-1-amine.

Molecular Properties

Compound Name(2R)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propan-1-amine
PubChem CID42574565
Molecular FormulaC9H14F3N3
Molecular Weight221.23 g/mol
Exact Mass221.11
IUPAC Name(2R)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propan-1-amine
SMILESCc1cc(C(F)(F)F)n(C[C@H](C)CN)n1
InChIInChI=1S/C9H14F3N3/c1-6(4-13)5-15-8(9(10,11)12)3-7(2)14-15/h3,6H,4-5,13H2,1-2H3/t6-/m1/s1
InChIKeyKXBCPRSVJPVCNI-ZCFIWIBFSA-N
XLogP1.81
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propan-1-amine?
The IUPAC name of (2R)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propan-1-amine (CID 42574565) is (2R)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propan-1-amine.
What is the SMILES notation for (2R)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propan-1-amine?
The canonical SMILES for (2R)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propan-1-amine is Cc1cc(C(F)(F)F)n(C[C@H](C)CN)n1.
What is the InChIKey of (2R)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propan-1-amine?
The InChIKey is KXBCPRSVJPVCNI-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H14F3N3/c1-6(4-13)5-15-8(9(10,11)12)3-7(2)14-15/h3,6H,4-5,13H2,1-2H3/t6-/m1/s1.
What are the key properties of (2R)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propan-1-amine?
(2R)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propan-1-amine has a molecular weight of 221.23 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propan-1-amine is sourced from PubChem (CID 42574565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).