3-[1-(2-fluoro-2-methylpropyl)pyrazol-4-yl]propan-1-amine

C10H18FN3 — CID 84668982

IUPAC3-[1-(2-fluoro-2-methylpropyl)pyrazol-4-yl]propan-1-amine
SMILESCC(C)(F)Cn1cc(CCCN)cn1
InChIInChI=1S/C10H18FN3/c1-10(2,11)8-14-7-9(6-13-14)4-3-5-12/h6-7H,3-5,8,12H2,1-2H3
InChIKeyHWOKOTRHZBAZDQ-UHFFFAOYSA-N
MW199.27 g/mol
LogP1.52
Rot. Bonds5

About 3-[1-(2-fluoro-2-methylpropyl)pyrazol-4-yl]propan-1-amine

3-[1-(2-fluoro-2-methylpropyl)pyrazol-4-yl]propan-1-amine (PubChem CID 84668982) has the molecular formula C10H18FN3 and a molecular weight of 199.27 g/mol. Its IUPAC name is 3-[1-(2-fluoro-2-methylpropyl)pyrazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name3-[1-(2-fluoro-2-methylpropyl)pyrazol-4-yl]propan-1-amine
PubChem CID84668982
Molecular FormulaC10H18FN3
Molecular Weight199.27 g/mol
Exact Mass199.15
IUPAC Name3-[1-(2-fluoro-2-methylpropyl)pyrazol-4-yl]propan-1-amine
SMILESCC(C)(F)Cn1cc(CCCN)cn1
InChIInChI=1S/C10H18FN3/c1-10(2,11)8-14-7-9(6-13-14)4-3-5-12/h6-7H,3-5,8,12H2,1-2H3
InChIKeyHWOKOTRHZBAZDQ-UHFFFAOYSA-N
XLogP1.52
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-fluoro-2-methylpropyl)pyrazol-4-yl]propan-1-amine?
The IUPAC name of 3-[1-(2-fluoro-2-methylpropyl)pyrazol-4-yl]propan-1-amine (CID 84668982) is 3-[1-(2-fluoro-2-methylpropyl)pyrazol-4-yl]propan-1-amine.
What is the SMILES notation for 3-[1-(2-fluoro-2-methylpropyl)pyrazol-4-yl]propan-1-amine?
The canonical SMILES for 3-[1-(2-fluoro-2-methylpropyl)pyrazol-4-yl]propan-1-amine is CC(C)(F)Cn1cc(CCCN)cn1.
What is the InChIKey of 3-[1-(2-fluoro-2-methylpropyl)pyrazol-4-yl]propan-1-amine?
The InChIKey is HWOKOTRHZBAZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FN3/c1-10(2,11)8-14-7-9(6-13-14)4-3-5-12/h6-7H,3-5,8,12H2,1-2H3.
What are the key properties of 3-[1-(2-fluoro-2-methylpropyl)pyrazol-4-yl]propan-1-amine?
3-[1-(2-fluoro-2-methylpropyl)pyrazol-4-yl]propan-1-amine has a molecular weight of 199.27 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-fluoro-2-methylpropyl)pyrazol-4-yl]propan-1-amine is sourced from PubChem (CID 84668982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).