N-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]propan-2-amine

C8H12F3N3 — CID 66442059

IUPACN-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cn[nH]c1C(F)(F)F
InChIInChI=1S/C8H12F3N3/c1-5(2)12-3-6-4-13-14-7(6)8(9,10)11/h4-5,12H,3H2,1-2H3,(H,13,14)
InChIKeyGXZFRSNJPOFYBI-UHFFFAOYSA-N
MW207.20 g/mol
LogP1.93
Rot. Bonds3

About N-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]propan-2-amine

N-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]propan-2-amine (PubChem CID 66442059) has the molecular formula C8H12F3N3 and a molecular weight of 207.20 g/mol. Its IUPAC name is N-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]propan-2-amine
PubChem CID66442059
Molecular FormulaC8H12F3N3
Molecular Weight207.20 g/mol
Exact Mass207.10
IUPAC NameN-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cn[nH]c1C(F)(F)F
InChIInChI=1S/C8H12F3N3/c1-5(2)12-3-6-4-13-14-7(6)8(9,10)11/h4-5,12H,3H2,1-2H3,(H,13,14)
InChIKeyGXZFRSNJPOFYBI-UHFFFAOYSA-N
XLogP1.93
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 ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]propan-2-amine (CID 66442059) is N-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]propan-2-amine is CC(C)NCc1cn[nH]c1C(F)(F)F.
What is the InChIKey of N-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]propan-2-amine?
The InChIKey is GXZFRSNJPOFYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3/c1-5(2)12-3-6-4-13-14-7(6)8(9,10)11/h4-5,12H,3H2,1-2H3,(H,13,14).
What are the key properties of N-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]propan-2-amine?
N-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]propan-2-amine has a molecular weight of 207.20 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 66442059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).