N-ethyl-1-[1-(3-fluoropropyl)pyrazol-4-yl]propan-1-amine

C11H20FN3 — CID 81113093

IUPACN-ethyl-1-[1-(3-fluoropropyl)pyrazol-4-yl]propan-1-amine
SMILESCCNC(CC)c1cnn(CCCF)c1
InChIInChI=1S/C11H20FN3/c1-3-11(13-4-2)10-8-14-15(9-10)7-5-6-12/h8-9,11,13H,3-7H2,1-2H3
InChIKeyWEMHWGVWLYCXND-UHFFFAOYSA-N
MW213.30 g/mol
LogP2.30
Rot. Bonds7

About N-ethyl-1-[1-(3-fluoropropyl)pyrazol-4-yl]propan-1-amine

N-ethyl-1-[1-(3-fluoropropyl)pyrazol-4-yl]propan-1-amine (PubChem CID 81113093) has the molecular formula C11H20FN3 and a molecular weight of 213.30 g/mol. Its IUPAC name is N-ethyl-1-[1-(3-fluoropropyl)pyrazol-4-yl]propan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-[1-(3-fluoropropyl)pyrazol-4-yl]propan-1-amine
PubChem CID81113093
Molecular FormulaC11H20FN3
Molecular Weight213.30 g/mol
Exact Mass213.16
IUPAC NameN-ethyl-1-[1-(3-fluoropropyl)pyrazol-4-yl]propan-1-amine
SMILESCCNC(CC)c1cnn(CCCF)c1
InChIInChI=1S/C11H20FN3/c1-3-11(13-4-2)10-8-14-15(9-10)7-5-6-12/h8-9,11,13H,3-7H2,1-2H3
InChIKeyWEMHWGVWLYCXND-UHFFFAOYSA-N
XLogP2.30
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[1-(3-fluoropropyl)pyrazol-4-yl]propan-1-amine?
The IUPAC name of N-ethyl-1-[1-(3-fluoropropyl)pyrazol-4-yl]propan-1-amine (CID 81113093) is N-ethyl-1-[1-(3-fluoropropyl)pyrazol-4-yl]propan-1-amine.
What is the SMILES notation for N-ethyl-1-[1-(3-fluoropropyl)pyrazol-4-yl]propan-1-amine?
The canonical SMILES for N-ethyl-1-[1-(3-fluoropropyl)pyrazol-4-yl]propan-1-amine is CCNC(CC)c1cnn(CCCF)c1.
What is the InChIKey of N-ethyl-1-[1-(3-fluoropropyl)pyrazol-4-yl]propan-1-amine?
The InChIKey is WEMHWGVWLYCXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FN3/c1-3-11(13-4-2)10-8-14-15(9-10)7-5-6-12/h8-9,11,13H,3-7H2,1-2H3.
What are the key properties of N-ethyl-1-[1-(3-fluoropropyl)pyrazol-4-yl]propan-1-amine?
N-ethyl-1-[1-(3-fluoropropyl)pyrazol-4-yl]propan-1-amine has a molecular weight of 213.30 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[1-(3-fluoropropyl)pyrazol-4-yl]propan-1-amine is sourced from PubChem (CID 81113093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).