3,3,3-trifluoro-1-(1-methylpyrazol-4-yl)propan-1-amine

C7H10F3N3 — CID 43124237

IUPAC3,3,3-trifluoro-1-(1-methylpyrazol-4-yl)propan-1-amine
SMILESCn1cc(C(N)CC(F)(F)F)cn1
InChIInChI=1S/C7H10F3N3/c1-13-4-5(3-12-13)6(11)2-7(8,9)10/h3-4,6H,2,11H2,1H3
InChIKeyHOPPSXNVBIPBIG-UHFFFAOYSA-N
MW193.17 g/mol
LogP1.37
Rot. Bonds2

About 3,3,3-trifluoro-1-(1-methylpyrazol-4-yl)propan-1-amine

3,3,3-trifluoro-1-(1-methylpyrazol-4-yl)propan-1-amine (PubChem CID 43124237) has the molecular formula C7H10F3N3 and a molecular weight of 193.17 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-(1-methylpyrazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-1-(1-methylpyrazol-4-yl)propan-1-amine
PubChem CID43124237
Molecular FormulaC7H10F3N3
Molecular Weight193.17 g/mol
Exact Mass193.08
IUPAC Name3,3,3-trifluoro-1-(1-methylpyrazol-4-yl)propan-1-amine
SMILESCn1cc(C(N)CC(F)(F)F)cn1
InChIInChI=1S/C7H10F3N3/c1-13-4-5(3-12-13)6(11)2-7(8,9)10/h3-4,6H,2,11H2,1H3
InChIKeyHOPPSXNVBIPBIG-UHFFFAOYSA-N
XLogP1.37
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-(1-methylpyrazol-4-yl)propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-1-(1-methylpyrazol-4-yl)propan-1-amine (CID 43124237) is 3,3,3-trifluoro-1-(1-methylpyrazol-4-yl)propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-1-(1-methylpyrazol-4-yl)propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-1-(1-methylpyrazol-4-yl)propan-1-amine is Cn1cc(C(N)CC(F)(F)F)cn1.
What is the InChIKey of 3,3,3-trifluoro-1-(1-methylpyrazol-4-yl)propan-1-amine?
The InChIKey is HOPPSXNVBIPBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3/c1-13-4-5(3-12-13)6(11)2-7(8,9)10/h3-4,6H,2,11H2,1H3.
What are the key properties of 3,3,3-trifluoro-1-(1-methylpyrazol-4-yl)propan-1-amine?
3,3,3-trifluoro-1-(1-methylpyrazol-4-yl)propan-1-amine has a molecular weight of 193.17 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-(1-methylpyrazol-4-yl)propan-1-amine is sourced from PubChem (CID 43124237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).