N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2,2,2-trifluoroethanamine

C8H12F3N3 — CID 43644725

IUPACN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2,2,2-trifluoroethanamine
SMILESCc1n[nH]c(C)c1CNCC(F)(F)F
InChIInChI=1S/C8H12F3N3/c1-5-7(6(2)14-13-5)3-12-4-8(9,10)11/h12H,3-4H2,1-2H3,(H,13,14)
InChIKeyLVBBOFSVKZHEJD-UHFFFAOYSA-N
MW207.20 g/mol
LogP1.68
Rot. Bonds3

About N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2,2,2-trifluoroethanamine

N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2,2,2-trifluoroethanamine (PubChem CID 43644725) has the molecular formula C8H12F3N3 and a molecular weight of 207.20 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2,2,2-trifluoroethanamine
PubChem CID43644725
Molecular FormulaC8H12F3N3
Molecular Weight207.20 g/mol
Exact Mass207.10
IUPAC NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2,2,2-trifluoroethanamine
SMILESCc1n[nH]c(C)c1CNCC(F)(F)F
InChIInChI=1S/C8H12F3N3/c1-5-7(6(2)14-13-5)3-12-4-8(9,10)11/h12H,3-4H2,1-2H3,(H,13,14)
InChIKeyLVBBOFSVKZHEJD-UHFFFAOYSA-N
XLogP1.68
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2,2,2-trifluoroethanamine?
The IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2,2,2-trifluoroethanamine (CID 43644725) is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2,2,2-trifluoroethanamine?
The canonical SMILES for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2,2,2-trifluoroethanamine is Cc1n[nH]c(C)c1CNCC(F)(F)F.
What is the InChIKey of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2,2,2-trifluoroethanamine?
The InChIKey is LVBBOFSVKZHEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3/c1-5-7(6(2)14-13-5)3-12-4-8(9,10)11/h12H,3-4H2,1-2H3,(H,13,14).
What are the key properties of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2,2,2-trifluoroethanamine?
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2,2,2-trifluoroethanamine has a molecular weight of 207.20 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2,2,2-trifluoroethanamine is sourced from PubChem (CID 43644725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).