2-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]-5-methylpyrazol-3-amine

C12H21FN4 — CID 145427811

IUPAC2-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]-5-methylpyrazol-3-amine
SMILESCc1cc(N)n(CC2CCN(CCF)CC2)n1
InChIInChI=1S/C12H21FN4/c1-10-8-12(14)17(15-10)9-11-2-5-16(6-3-11)7-4-13/h8,11H,2-7,9,14H2,1H3
InChIKeyWDLTXADQGKCISC-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.46
Rot. Bonds4

About 2-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]-5-methylpyrazol-3-amine

2-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]-5-methylpyrazol-3-amine (PubChem CID 145427811) has the molecular formula C12H21FN4 and a molecular weight of 240.33 g/mol. Its IUPAC name is 2-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]-5-methylpyrazol-3-amine.

Molecular Properties

Compound Name2-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]-5-methylpyrazol-3-amine
PubChem CID145427811
Molecular FormulaC12H21FN4
Molecular Weight240.33 g/mol
Exact Mass240.18
IUPAC Name2-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]-5-methylpyrazol-3-amine
SMILESCc1cc(N)n(CC2CCN(CCF)CC2)n1
InChIInChI=1S/C12H21FN4/c1-10-8-12(14)17(15-10)9-11-2-5-16(6-3-11)7-4-13/h8,11H,2-7,9,14H2,1H3
InChIKeyWDLTXADQGKCISC-UHFFFAOYSA-N
XLogP1.46
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]-5-methylpyrazol-3-amine?
The IUPAC name of 2-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]-5-methylpyrazol-3-amine (CID 145427811) is 2-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]-5-methylpyrazol-3-amine.
What is the SMILES notation for 2-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]-5-methylpyrazol-3-amine?
The canonical SMILES for 2-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]-5-methylpyrazol-3-amine is Cc1cc(N)n(CC2CCN(CCF)CC2)n1.
What is the InChIKey of 2-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]-5-methylpyrazol-3-amine?
The InChIKey is WDLTXADQGKCISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21FN4/c1-10-8-12(14)17(15-10)9-11-2-5-16(6-3-11)7-4-13/h8,11H,2-7,9,14H2,1H3.
What are the key properties of 2-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]-5-methylpyrazol-3-amine?
2-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]-5-methylpyrazol-3-amine has a molecular weight of 240.33 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]-5-methylpyrazol-3-amine is sourced from PubChem (CID 145427811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).