3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-amine

C8H12F3N3 — CID 7018524

IUPAC3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-amine
SMILESCc1cc(C(F)(F)F)nn1CCCN
InChIInChI=1S/C8H12F3N3/c1-6-5-7(8(9,10)11)13-14(6)4-2-3-12/h5H,2-4,12H2,1H3
InChIKeyAKQDGIVPYKSDKZ-UHFFFAOYSA-N
MW207.20 g/mol
LogP1.56
Rot. Bonds3

About 3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-amine

3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-amine (PubChem CID 7018524) has the molecular formula C8H12F3N3 and a molecular weight of 207.20 g/mol. Its IUPAC name is 3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-amine
PubChem CID7018524
Molecular FormulaC8H12F3N3
Molecular Weight207.20 g/mol
Exact Mass207.10
IUPAC Name3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-amine
SMILESCc1cc(C(F)(F)F)nn1CCCN
InChIInChI=1S/C8H12F3N3/c1-6-5-7(8(9,10)11)13-14(6)4-2-3-12/h5H,2-4,12H2,1H3
InChIKeyAKQDGIVPYKSDKZ-UHFFFAOYSA-N
XLogP1.56
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-amine?
The IUPAC name of 3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-amine (CID 7018524) is 3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-amine.
What is the SMILES notation for 3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-amine?
The canonical SMILES for 3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-amine is Cc1cc(C(F)(F)F)nn1CCCN.
What is the InChIKey of 3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-amine?
The InChIKey is AKQDGIVPYKSDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3/c1-6-5-7(8(9,10)11)13-14(6)4-2-3-12/h5H,2-4,12H2,1H3.
What are the key properties of 3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-amine?
3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-amine has a molecular weight of 207.20 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-amine is sourced from PubChem (CID 7018524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).