5-chloro-1-(1-ethyl-3-fluoropiperidin-4-yl)pyrazol-4-amine

C10H16ClFN4 — CID 67969987

IUPAC5-chloro-1-(1-ethyl-3-fluoropiperidin-4-yl)pyrazol-4-amine
SMILESCCN1CCC(n2ncc(N)c2Cl)C(F)C1
InChIInChI=1S/C10H16ClFN4/c1-2-15-4-3-9(7(12)6-15)16-10(11)8(13)5-14-16/h5,7,9H,2-4,6,13H2,1H3
InChIKeyUKRGTSBNTJQVBA-UHFFFAOYSA-N
MW246.72 g/mol
LogP1.72
Rot. Bonds2

About 5-chloro-1-(1-ethyl-3-fluoropiperidin-4-yl)pyrazol-4-amine

5-chloro-1-(1-ethyl-3-fluoropiperidin-4-yl)pyrazol-4-amine (PubChem CID 67969987) has the molecular formula C10H16ClFN4 and a molecular weight of 246.72 g/mol. Its IUPAC name is 5-chloro-1-(1-ethyl-3-fluoropiperidin-4-yl)pyrazol-4-amine.

Molecular Properties

Compound Name5-chloro-1-(1-ethyl-3-fluoropiperidin-4-yl)pyrazol-4-amine
PubChem CID67969987
Molecular FormulaC10H16ClFN4
Molecular Weight246.72 g/mol
Exact Mass246.10
IUPAC Name5-chloro-1-(1-ethyl-3-fluoropiperidin-4-yl)pyrazol-4-amine
SMILESCCN1CCC(n2ncc(N)c2Cl)C(F)C1
InChIInChI=1S/C10H16ClFN4/c1-2-15-4-3-9(7(12)6-15)16-10(11)8(13)5-14-16/h5,7,9H,2-4,6,13H2,1H3
InChIKeyUKRGTSBNTJQVBA-UHFFFAOYSA-N
XLogP1.72
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.72
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(1-ethyl-3-fluoropiperidin-4-yl)pyrazol-4-amine?
The IUPAC name of 5-chloro-1-(1-ethyl-3-fluoropiperidin-4-yl)pyrazol-4-amine (CID 67969987) is 5-chloro-1-(1-ethyl-3-fluoropiperidin-4-yl)pyrazol-4-amine.
What is the SMILES notation for 5-chloro-1-(1-ethyl-3-fluoropiperidin-4-yl)pyrazol-4-amine?
The canonical SMILES for 5-chloro-1-(1-ethyl-3-fluoropiperidin-4-yl)pyrazol-4-amine is CCN1CCC(n2ncc(N)c2Cl)C(F)C1.
What is the InChIKey of 5-chloro-1-(1-ethyl-3-fluoropiperidin-4-yl)pyrazol-4-amine?
The InChIKey is UKRGTSBNTJQVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClFN4/c1-2-15-4-3-9(7(12)6-15)16-10(11)8(13)5-14-16/h5,7,9H,2-4,6,13H2,1H3.
What are the key properties of 5-chloro-1-(1-ethyl-3-fluoropiperidin-4-yl)pyrazol-4-amine?
5-chloro-1-(1-ethyl-3-fluoropiperidin-4-yl)pyrazol-4-amine has a molecular weight of 246.72 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(1-ethyl-3-fluoropiperidin-4-yl)pyrazol-4-amine is sourced from PubChem (CID 67969987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).