3,3,3-trifluoro-1-phenyl-N-(1H-pyrazol-4-ylmethyl)propan-1-amine

C13H14F3N3 — CID 54897637

IUPAC3,3,3-trifluoro-1-phenyl-N-(1H-pyrazol-4-ylmethyl)propan-1-amine
SMILESFC(F)(F)CC(NCc1cn[nH]c1)c1ccccc1
InChIInChI=1S/C13H14F3N3/c14-13(15,16)6-12(11-4-2-1-3-5-11)17-7-10-8-18-19-9-10/h1-5,8-9,12,17H,6-7H2,(H,18,19)
InChIKeyICVGOJVCGBUOPA-UHFFFAOYSA-N
MW269.27 g/mol
LogP3.19
Rot. Bonds5

About 3,3,3-trifluoro-1-phenyl-N-(1H-pyrazol-4-ylmethyl)propan-1-amine

3,3,3-trifluoro-1-phenyl-N-(1H-pyrazol-4-ylmethyl)propan-1-amine (PubChem CID 54897637) has the molecular formula C13H14F3N3 and a molecular weight of 269.27 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-phenyl-N-(1H-pyrazol-4-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-1-phenyl-N-(1H-pyrazol-4-ylmethyl)propan-1-amine
PubChem CID54897637
Molecular FormulaC13H14F3N3
Molecular Weight269.27 g/mol
Exact Mass269.11
IUPAC Name3,3,3-trifluoro-1-phenyl-N-(1H-pyrazol-4-ylmethyl)propan-1-amine
SMILESFC(F)(F)CC(NCc1cn[nH]c1)c1ccccc1
InChIInChI=1S/C13H14F3N3/c14-13(15,16)6-12(11-4-2-1-3-5-11)17-7-10-8-18-19-9-10/h1-5,8-9,12,17H,6-7H2,(H,18,19)
InChIKeyICVGOJVCGBUOPA-UHFFFAOYSA-N
XLogP3.19
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-1-phenyl-N-(1H-pyrazol-4-ylmethyl)methanamine
CID 61000493
3,3,3-trifluoro-N-(furan-3-ylmethyl)-1-phenylpropan-1-amine
CID 115607292
N-ethyl-3,3,3-trifluoro-1-phenylpropan-1-amine
CID 43489138
3,3,3-trifluoro-N-[(5-methylpyrazin-2-yl)methyl]-1-phenylpropan-1-amine
CID 62847357
3,3,3-trifluoro-1-phenyl-N-(pyridazin-3-ylmethyl)propan-1-amine
CID 106895245
3,3,3-trifluoro-N-[(4-methyl-3-pyridinyl)methyl]-1-phenylpropan-1-amine
CID 115900299
2,2-difluoro-3-[(3,3,3-trifluoro-1-phenylpropyl)amino]propan-1-ol
CID 106172903
3,3,3-trifluoro-1-phenyl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 55150406
3,3,3-trifluoro-1-phenyl-N-prop-2-ynylpropan-1-amine
CID 43755356
3,3,3-trifluoro-N-[(5-methylfuran-2-yl)methyl]-1-phenylpropan-1-amine
CID 60961509
N-(1H-pyrazol-4-ylmethyl)propan-2-amine
CID 61000273
3,3,3-trifluoro-1-phenyl-N-(1-phenylethyl)propan-1-amine
CID 43755979

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-phenyl-N-(1H-pyrazol-4-ylmethyl)propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-1-phenyl-N-(1H-pyrazol-4-ylmethyl)propan-1-amine (CID 54897637) is 3,3,3-trifluoro-1-phenyl-N-(1H-pyrazol-4-ylmethyl)propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-1-phenyl-N-(1H-pyrazol-4-ylmethyl)propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-1-phenyl-N-(1H-pyrazol-4-ylmethyl)propan-1-amine is FC(F)(F)CC(NCc1cn[nH]c1)c1ccccc1.
What is the InChIKey of 3,3,3-trifluoro-1-phenyl-N-(1H-pyrazol-4-ylmethyl)propan-1-amine?
The InChIKey is ICVGOJVCGBUOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3/c14-13(15,16)6-12(11-4-2-1-3-5-11)17-7-10-8-18-19-9-10/h1-5,8-9,12,17H,6-7H2,(H,18,19).
What are the key properties of 3,3,3-trifluoro-1-phenyl-N-(1H-pyrazol-4-ylmethyl)propan-1-amine?
3,3,3-trifluoro-1-phenyl-N-(1H-pyrazol-4-ylmethyl)propan-1-amine has a molecular weight of 269.27 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-phenyl-N-(1H-pyrazol-4-ylmethyl)propan-1-amine is sourced from PubChem (CID 54897637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).