5-chloro-1-(3-fluoro-1-methylpiperidin-4-yl)pyrazol-4-amine

C9H14ClFN4 — CID 69281658

IUPAC5-chloro-1-(3-fluoro-1-methylpiperidin-4-yl)pyrazol-4-amine
SMILESCN1CCC(n2ncc(N)c2Cl)C(F)C1
InChIInChI=1S/C9H14ClFN4/c1-14-3-2-8(6(11)5-14)15-9(10)7(12)4-13-15/h4,6,8H,2-3,5,12H2,1H3
InChIKeySCGUVZSABHWKBP-UHFFFAOYSA-N
MW232.69 g/mol
LogP1.33
Rot. Bonds1

About 5-chloro-1-(3-fluoro-1-methylpiperidin-4-yl)pyrazol-4-amine

5-chloro-1-(3-fluoro-1-methylpiperidin-4-yl)pyrazol-4-amine (PubChem CID 69281658) has the molecular formula C9H14ClFN4 and a molecular weight of 232.69 g/mol. Its IUPAC name is 5-chloro-1-(3-fluoro-1-methylpiperidin-4-yl)pyrazol-4-amine.

Molecular Properties

Compound Name5-chloro-1-(3-fluoro-1-methylpiperidin-4-yl)pyrazol-4-amine
PubChem CID69281658
Molecular FormulaC9H14ClFN4
Molecular Weight232.69 g/mol
Exact Mass232.09
IUPAC Name5-chloro-1-(3-fluoro-1-methylpiperidin-4-yl)pyrazol-4-amine
SMILESCN1CCC(n2ncc(N)c2Cl)C(F)C1
InChIInChI=1S/C9H14ClFN4/c1-14-3-2-8(6(11)5-14)15-9(10)7(12)4-13-15/h4,6,8H,2-3,5,12H2,1H3
InChIKeySCGUVZSABHWKBP-UHFFFAOYSA-N
XLogP1.33
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.69
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(3-fluoro-1-methylpiperidin-4-yl)pyrazol-4-amine?
The IUPAC name of 5-chloro-1-(3-fluoro-1-methylpiperidin-4-yl)pyrazol-4-amine (CID 69281658) is 5-chloro-1-(3-fluoro-1-methylpiperidin-4-yl)pyrazol-4-amine.
What is the SMILES notation for 5-chloro-1-(3-fluoro-1-methylpiperidin-4-yl)pyrazol-4-amine?
The canonical SMILES for 5-chloro-1-(3-fluoro-1-methylpiperidin-4-yl)pyrazol-4-amine is CN1CCC(n2ncc(N)c2Cl)C(F)C1.
What is the InChIKey of 5-chloro-1-(3-fluoro-1-methylpiperidin-4-yl)pyrazol-4-amine?
The InChIKey is SCGUVZSABHWKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClFN4/c1-14-3-2-8(6(11)5-14)15-9(10)7(12)4-13-15/h4,6,8H,2-3,5,12H2,1H3.
What are the key properties of 5-chloro-1-(3-fluoro-1-methylpiperidin-4-yl)pyrazol-4-amine?
5-chloro-1-(3-fluoro-1-methylpiperidin-4-yl)pyrazol-4-amine has a molecular weight of 232.69 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(3-fluoro-1-methylpiperidin-4-yl)pyrazol-4-amine is sourced from PubChem (CID 69281658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).