1-[1-(2-fluoroethyl)piperidin-4-yl]-3-methylpyrazol-4-amine

C11H19FN4 — CID 87765467

IUPAC1-[1-(2-fluoroethyl)piperidin-4-yl]-3-methylpyrazol-4-amine
SMILESCc1nn(C2CCN(CCF)CC2)cc1N
InChIInChI=1S/C11H19FN4/c1-9-11(13)8-16(14-9)10-2-5-15(6-3-10)7-4-12/h8,10H,2-7,13H2,1H3
InChIKeyCBOOMOIOHNKRKN-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.38
Rot. Bonds3

About 1-[1-(2-fluoroethyl)piperidin-4-yl]-3-methylpyrazol-4-amine

1-[1-(2-fluoroethyl)piperidin-4-yl]-3-methylpyrazol-4-amine (PubChem CID 87765467) has the molecular formula C11H19FN4 and a molecular weight of 226.30 g/mol. Its IUPAC name is 1-[1-(2-fluoroethyl)piperidin-4-yl]-3-methylpyrazol-4-amine.

Molecular Properties

Compound Name1-[1-(2-fluoroethyl)piperidin-4-yl]-3-methylpyrazol-4-amine
PubChem CID87765467
Molecular FormulaC11H19FN4
Molecular Weight226.30 g/mol
Exact Mass226.16
IUPAC Name1-[1-(2-fluoroethyl)piperidin-4-yl]-3-methylpyrazol-4-amine
SMILESCc1nn(C2CCN(CCF)CC2)cc1N
InChIInChI=1S/C11H19FN4/c1-9-11(13)8-16(14-9)10-2-5-15(6-3-10)7-4-12/h8,10H,2-7,13H2,1H3
InChIKeyCBOOMOIOHNKRKN-UHFFFAOYSA-N
XLogP1.38
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.38
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]-3-methylpyrazol-4-amine?
The IUPAC name of 1-[1-(2-fluoroethyl)piperidin-4-yl]-3-methylpyrazol-4-amine (CID 87765467) is 1-[1-(2-fluoroethyl)piperidin-4-yl]-3-methylpyrazol-4-amine.
What is the SMILES notation for 1-[1-(2-fluoroethyl)piperidin-4-yl]-3-methylpyrazol-4-amine?
The canonical SMILES for 1-[1-(2-fluoroethyl)piperidin-4-yl]-3-methylpyrazol-4-amine is Cc1nn(C2CCN(CCF)CC2)cc1N.
What is the InChIKey of 1-[1-(2-fluoroethyl)piperidin-4-yl]-3-methylpyrazol-4-amine?
The InChIKey is CBOOMOIOHNKRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FN4/c1-9-11(13)8-16(14-9)10-2-5-15(6-3-10)7-4-12/h8,10H,2-7,13H2,1H3.
What are the key properties of 1-[1-(2-fluoroethyl)piperidin-4-yl]-3-methylpyrazol-4-amine?
1-[1-(2-fluoroethyl)piperidin-4-yl]-3-methylpyrazol-4-amine has a molecular weight of 226.30 g/mol, XLogP of 1.38, 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]-3-methylpyrazol-4-amine is sourced from PubChem (CID 87765467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).