3-[3-(1-ethylpyrazol-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]propan-1-amine

C12H16F3N5 — CID 19614698

IUPAC3-[3-(1-ethylpyrazol-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]propan-1-amine
SMILESCCn1cc(-c2cc(C(F)(F)F)n(CCCN)n2)cn1
InChIInChI=1S/C12H16F3N5/c1-2-19-8-9(7-17-19)10-6-11(12(13,14)15)20(18-10)5-3-4-16/h6-8H,2-5,16H2,1H3
InChIKeyPHGZZHBJGUNJHR-UHFFFAOYSA-N
MW287.29 g/mol
LogP2.13
Rot. Bonds5

About 3-[3-(1-ethylpyrazol-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]propan-1-amine

3-[3-(1-ethylpyrazol-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]propan-1-amine (PubChem CID 19614698) has the molecular formula C12H16F3N5 and a molecular weight of 287.29 g/mol. Its IUPAC name is 3-[3-(1-ethylpyrazol-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-[3-(1-ethylpyrazol-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]propan-1-amine
PubChem CID19614698
Molecular FormulaC12H16F3N5
Molecular Weight287.29 g/mol
Exact Mass287.14
IUPAC Name3-[3-(1-ethylpyrazol-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]propan-1-amine
SMILESCCn1cc(-c2cc(C(F)(F)F)n(CCCN)n2)cn1
InChIInChI=1S/C12H16F3N5/c1-2-19-8-9(7-17-19)10-6-11(12(13,14)15)20(18-10)5-3-4-16/h6-8H,2-5,16H2,1H3
InChIKeyPHGZZHBJGUNJHR-UHFFFAOYSA-N
XLogP2.13
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-ethylpyrazol-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]propan-1-amine?
The IUPAC name of 3-[3-(1-ethylpyrazol-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]propan-1-amine (CID 19614698) is 3-[3-(1-ethylpyrazol-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]propan-1-amine.
What is the SMILES notation for 3-[3-(1-ethylpyrazol-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]propan-1-amine?
The canonical SMILES for 3-[3-(1-ethylpyrazol-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]propan-1-amine is CCn1cc(-c2cc(C(F)(F)F)n(CCCN)n2)cn1.
What is the InChIKey of 3-[3-(1-ethylpyrazol-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]propan-1-amine?
The InChIKey is PHGZZHBJGUNJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N5/c1-2-19-8-9(7-17-19)10-6-11(12(13,14)15)20(18-10)5-3-4-16/h6-8H,2-5,16H2,1H3.
What are the key properties of 3-[3-(1-ethylpyrazol-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]propan-1-amine?
3-[3-(1-ethylpyrazol-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]propan-1-amine has a molecular weight of 287.29 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-ethylpyrazol-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]propan-1-amine is sourced from PubChem (CID 19614698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).