6-[3-(trifluoromethyl)pyrazol-1-yl]hexan-3-amine

C10H16F3N3 — CID 106800335

IUPAC6-[3-(trifluoromethyl)pyrazol-1-yl]hexan-3-amine
SMILESCCC(N)CCCn1ccc(C(F)(F)F)n1
InChIInChI=1S/C10H16F3N3/c1-2-8(14)4-3-6-16-7-5-9(15-16)10(11,12)13/h5,7-8H,2-4,6,14H2,1H3
InChIKeyPFJPJDDMBFCUBN-UHFFFAOYSA-N
MW235.25 g/mol
LogP2.42
Rot. Bonds5

About 6-[3-(trifluoromethyl)pyrazol-1-yl]hexan-3-amine

6-[3-(trifluoromethyl)pyrazol-1-yl]hexan-3-amine (PubChem CID 106800335) has the molecular formula C10H16F3N3 and a molecular weight of 235.25 g/mol. Its IUPAC name is 6-[3-(trifluoromethyl)pyrazol-1-yl]hexan-3-amine.

Molecular Properties

Compound Name6-[3-(trifluoromethyl)pyrazol-1-yl]hexan-3-amine
PubChem CID106800335
Molecular FormulaC10H16F3N3
Molecular Weight235.25 g/mol
Exact Mass235.13
IUPAC Name6-[3-(trifluoromethyl)pyrazol-1-yl]hexan-3-amine
SMILESCCC(N)CCCn1ccc(C(F)(F)F)n1
InChIInChI=1S/C10H16F3N3/c1-2-8(14)4-3-6-16-7-5-9(15-16)10(11,12)13/h5,7-8H,2-4,6,14H2,1H3
InChIKeyPFJPJDDMBFCUBN-UHFFFAOYSA-N
XLogP2.42
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[3-(trifluoromethyl)pyrazol-1-yl]hexan-3-ol
CID 106802540
N,N-dimethyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-amine
CID 114526778
6-[3-(trifluoromethyl)pyrazol-1-yl]hexan-3-one
CID 106801647
methyl 2-amino-4-[3-(trifluoromethyl)pyrazol-1-yl]butanoate
CID 63039948
N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]heptan-2-amine
CID 55088610
1-(3-pyrrolidin-1-ylpropyl)-3-(trifluoromethyl)pyrazole
CID 116621384
2-ethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]butanamide
CID 90588535
N,N-dimethyl-1-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-amine
CID 162611382
4-[3-(trifluoromethyl)pyrazol-1-yl]butanehydrazide
CID 63579585
2-ethyl-2-(ethylamino)-5-[3-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol
CID 106810077
2-ethyl-2-(ethylamino)-5-[3-(trifluoromethyl)pyrazol-1-yl]pentanenitrile
CID 106804164
3-ethoxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propan-1-amine
CID 62566934

Frequently Asked Questions

What is the IUPAC name of 6-[3-(trifluoromethyl)pyrazol-1-yl]hexan-3-amine?
The IUPAC name of 6-[3-(trifluoromethyl)pyrazol-1-yl]hexan-3-amine (CID 106800335) is 6-[3-(trifluoromethyl)pyrazol-1-yl]hexan-3-amine.
What is the SMILES notation for 6-[3-(trifluoromethyl)pyrazol-1-yl]hexan-3-amine?
The canonical SMILES for 6-[3-(trifluoromethyl)pyrazol-1-yl]hexan-3-amine is CCC(N)CCCn1ccc(C(F)(F)F)n1.
What is the InChIKey of 6-[3-(trifluoromethyl)pyrazol-1-yl]hexan-3-amine?
The InChIKey is PFJPJDDMBFCUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3/c1-2-8(14)4-3-6-16-7-5-9(15-16)10(11,12)13/h5,7-8H,2-4,6,14H2,1H3.
What are the key properties of 6-[3-(trifluoromethyl)pyrazol-1-yl]hexan-3-amine?
6-[3-(trifluoromethyl)pyrazol-1-yl]hexan-3-amine has a molecular weight of 235.25 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(trifluoromethyl)pyrazol-1-yl]hexan-3-amine is sourced from PubChem (CID 106800335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).