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

C10H17FN4 — CID 90104613

IUPAC1-[1-(2-fluoroethyl)piperidin-4-yl]pyrazol-4-amine
SMILESNc1cnn(C2CCN(CCF)CC2)c1
InChIInChI=1S/C10H17FN4/c11-3-6-14-4-1-10(2-5-14)15-8-9(12)7-13-15/h7-8,10H,1-6,12H2
InChIKeyDHSRYOVJCDHCAH-UHFFFAOYSA-N
MW212.27 g/mol
LogP1.07
Rot. Bonds3

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

1-[1-(2-fluoroethyl)piperidin-4-yl]pyrazol-4-amine (PubChem CID 90104613) has the molecular formula C10H17FN4 and a molecular weight of 212.27 g/mol. Its IUPAC name is 1-[1-(2-fluoroethyl)piperidin-4-yl]pyrazol-4-amine.

Molecular Properties

Compound Name1-[1-(2-fluoroethyl)piperidin-4-yl]pyrazol-4-amine
PubChem CID90104613
Molecular FormulaC10H17FN4
Molecular Weight212.27 g/mol
Exact Mass212.14
IUPAC Name1-[1-(2-fluoroethyl)piperidin-4-yl]pyrazol-4-amine
SMILESNc1cnn(C2CCN(CCF)CC2)c1
InChIInChI=1S/C10H17FN4/c11-3-6-14-4-1-10(2-5-14)15-8-9(12)7-13-15/h7-8,10H,1-6,12H2
InChIKeyDHSRYOVJCDHCAH-UHFFFAOYSA-N
XLogP1.07
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-fluoroethyl)piperidin-4-yl]pyrazol-4-amine?
The IUPAC name of 1-[1-(2-fluoroethyl)piperidin-4-yl]pyrazol-4-amine (CID 90104613) is 1-[1-(2-fluoroethyl)piperidin-4-yl]pyrazol-4-amine.
What is the SMILES notation for 1-[1-(2-fluoroethyl)piperidin-4-yl]pyrazol-4-amine?
The canonical SMILES for 1-[1-(2-fluoroethyl)piperidin-4-yl]pyrazol-4-amine is Nc1cnn(C2CCN(CCF)CC2)c1.
What is the InChIKey of 1-[1-(2-fluoroethyl)piperidin-4-yl]pyrazol-4-amine?
The InChIKey is DHSRYOVJCDHCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FN4/c11-3-6-14-4-1-10(2-5-14)15-8-9(12)7-13-15/h7-8,10H,1-6,12H2.
What are the key properties of 1-[1-(2-fluoroethyl)piperidin-4-yl]pyrazol-4-amine?
1-[1-(2-fluoroethyl)piperidin-4-yl]pyrazol-4-amine has a molecular weight of 212.27 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-fluoroethyl)piperidin-4-yl]pyrazol-4-amine is sourced from PubChem (CID 90104613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).