1-(3-fluoropiperidin-4-yl)-3-methylpyrazol-4-amine

C9H15FN4 — CID 90103792

IUPAC1-(3-fluoropiperidin-4-yl)-3-methylpyrazol-4-amine
SMILESCc1nn(C2CCNCC2F)cc1N
InChIInChI=1S/C9H15FN4/c1-6-8(11)5-14(13-6)9-2-3-12-4-7(9)10/h5,7,9,12H,2-4,11H2,1H3
InChIKeyNIRZQRSHWFNAEP-UHFFFAOYSA-N
MW198.24 g/mol
LogP0.65
Rot. Bonds1

About 1-(3-fluoropiperidin-4-yl)-3-methylpyrazol-4-amine

1-(3-fluoropiperidin-4-yl)-3-methylpyrazol-4-amine (PubChem CID 90103792) has the molecular formula C9H15FN4 and a molecular weight of 198.24 g/mol. Its IUPAC name is 1-(3-fluoropiperidin-4-yl)-3-methylpyrazol-4-amine.

Molecular Properties

Compound Name1-(3-fluoropiperidin-4-yl)-3-methylpyrazol-4-amine
PubChem CID90103792
Molecular FormulaC9H15FN4
Molecular Weight198.24 g/mol
Exact Mass198.13
IUPAC Name1-(3-fluoropiperidin-4-yl)-3-methylpyrazol-4-amine
SMILESCc1nn(C2CCNCC2F)cc1N
InChIInChI=1S/C9H15FN4/c1-6-8(11)5-14(13-6)9-2-3-12-4-7(9)10/h5,7,9,12H,2-4,11H2,1H3
InChIKeyNIRZQRSHWFNAEP-UHFFFAOYSA-N
XLogP0.65
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoropiperidin-4-yl)-3-methylpyrazol-4-amine?
The IUPAC name of 1-(3-fluoropiperidin-4-yl)-3-methylpyrazol-4-amine (CID 90103792) is 1-(3-fluoropiperidin-4-yl)-3-methylpyrazol-4-amine.
What is the SMILES notation for 1-(3-fluoropiperidin-4-yl)-3-methylpyrazol-4-amine?
The canonical SMILES for 1-(3-fluoropiperidin-4-yl)-3-methylpyrazol-4-amine is Cc1nn(C2CCNCC2F)cc1N.
What is the InChIKey of 1-(3-fluoropiperidin-4-yl)-3-methylpyrazol-4-amine?
The InChIKey is NIRZQRSHWFNAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN4/c1-6-8(11)5-14(13-6)9-2-3-12-4-7(9)10/h5,7,9,12H,2-4,11H2,1H3.
What are the key properties of 1-(3-fluoropiperidin-4-yl)-3-methylpyrazol-4-amine?
1-(3-fluoropiperidin-4-yl)-3-methylpyrazol-4-amine has a molecular weight of 198.24 g/mol, XLogP of 0.65, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropiperidin-4-yl)-3-methylpyrazol-4-amine is sourced from PubChem (CID 90103792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).