1-[1-(2-fluoroethyl)pyrazol-4-yl]-N-propylpropan-1-amine

C11H20FN3 — CID 80695641

IUPAC1-[1-(2-fluoroethyl)pyrazol-4-yl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1cnn(CCF)c1
InChIInChI=1S/C11H20FN3/c1-3-6-13-11(4-2)10-8-14-15(9-10)7-5-12/h8-9,11,13H,3-7H2,1-2H3
InChIKeyYMOCRVUVWKOIJY-UHFFFAOYSA-N
MW213.30 g/mol
LogP2.30
Rot. Bonds7

About 1-[1-(2-fluoroethyl)pyrazol-4-yl]-N-propylpropan-1-amine

1-[1-(2-fluoroethyl)pyrazol-4-yl]-N-propylpropan-1-amine (PubChem CID 80695641) has the molecular formula C11H20FN3 and a molecular weight of 213.30 g/mol. Its IUPAC name is 1-[1-(2-fluoroethyl)pyrazol-4-yl]-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-[1-(2-fluoroethyl)pyrazol-4-yl]-N-propylpropan-1-amine
PubChem CID80695641
Molecular FormulaC11H20FN3
Molecular Weight213.30 g/mol
Exact Mass213.16
IUPAC Name1-[1-(2-fluoroethyl)pyrazol-4-yl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1cnn(CCF)c1
InChIInChI=1S/C11H20FN3/c1-3-6-13-11(4-2)10-8-14-15(9-10)7-5-12/h8-9,11,13H,3-7H2,1-2H3
InChIKeyYMOCRVUVWKOIJY-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 1-[1-(2-fluoroethyl)pyrazol-4-yl]-N-propylpropan-1-amine?
The IUPAC name of 1-[1-(2-fluoroethyl)pyrazol-4-yl]-N-propylpropan-1-amine (CID 80695641) is 1-[1-(2-fluoroethyl)pyrazol-4-yl]-N-propylpropan-1-amine.
What is the SMILES notation for 1-[1-(2-fluoroethyl)pyrazol-4-yl]-N-propylpropan-1-amine?
The canonical SMILES for 1-[1-(2-fluoroethyl)pyrazol-4-yl]-N-propylpropan-1-amine is CCCNC(CC)c1cnn(CCF)c1.
What is the InChIKey of 1-[1-(2-fluoroethyl)pyrazol-4-yl]-N-propylpropan-1-amine?
The InChIKey is YMOCRVUVWKOIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FN3/c1-3-6-13-11(4-2)10-8-14-15(9-10)7-5-12/h8-9,11,13H,3-7H2,1-2H3.
What are the key properties of 1-[1-(2-fluoroethyl)pyrazol-4-yl]-N-propylpropan-1-amine?
1-[1-(2-fluoroethyl)pyrazol-4-yl]-N-propylpropan-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 1-[1-(2-fluoroethyl)pyrazol-4-yl]-N-propylpropan-1-amine is sourced from PubChem (CID 80695641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).