3-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-amine

C7H10F3N3 — CID 19620743

IUPAC3-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-amine
SMILESNCCCn1ccc(C(F)(F)F)n1
InChIInChI=1S/C7H10F3N3/c8-7(9,10)6-2-5-13(12-6)4-1-3-11/h2,5H,1,3-4,11H2
InChIKeyWTBFWCUKDVZZJX-UHFFFAOYSA-N
MW193.17 g/mol
LogP1.25
Rot. Bonds3

About 3-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-amine

3-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-amine (PubChem CID 19620743) has the molecular formula C7H10F3N3 and a molecular weight of 193.17 g/mol. Its IUPAC name is 3-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-amine
PubChem CID19620743
Molecular FormulaC7H10F3N3
Molecular Weight193.17 g/mol
Exact Mass193.08
IUPAC Name3-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-amine
SMILESNCCCn1ccc(C(F)(F)F)n1
InChIInChI=1S/C7H10F3N3/c8-7(9,10)6-2-5-13(12-6)4-1-3-11/h2,5H,1,3-4,11H2
InChIKeyWTBFWCUKDVZZJX-UHFFFAOYSA-N
XLogP1.25
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-amine?
The IUPAC name of 3-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-amine (CID 19620743) is 3-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-amine.
What is the SMILES notation for 3-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-amine?
The canonical SMILES for 3-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-amine is NCCCn1ccc(C(F)(F)F)n1.
What is the InChIKey of 3-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-amine?
The InChIKey is WTBFWCUKDVZZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3/c8-7(9,10)6-2-5-13(12-6)4-1-3-11/h2,5H,1,3-4,11H2.
What are the key properties of 3-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-amine?
3-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-amine has a molecular weight of 193.17 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-amine is sourced from PubChem (CID 19620743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).