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

C9H13ClF2N4 — CID 118288830

IUPAC5-chloro-1-(4,4-difluoro-1-methylpiperidin-3-yl)pyrazol-4-amine
SMILESCN1CCC(F)(F)C(n2ncc(N)c2Cl)C1
InChIInChI=1S/C9H13ClF2N4/c1-15-3-2-9(11,12)7(5-15)16-8(10)6(13)4-14-16/h4,7H,2-3,5,13H2,1H3
InChIKeyRTWFUFOISOCGAS-UHFFFAOYSA-N
MW250.68 g/mol
LogP1.63
Rot. Bonds1

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

5-chloro-1-(4,4-difluoro-1-methylpiperidin-3-yl)pyrazol-4-amine (PubChem CID 118288830) has the molecular formula C9H13ClF2N4 and a molecular weight of 250.68 g/mol. Its IUPAC name is 5-chloro-1-(4,4-difluoro-1-methylpiperidin-3-yl)pyrazol-4-amine.

Molecular Properties

Compound Name5-chloro-1-(4,4-difluoro-1-methylpiperidin-3-yl)pyrazol-4-amine
PubChem CID118288830
Molecular FormulaC9H13ClF2N4
Molecular Weight250.68 g/mol
Exact Mass250.08
IUPAC Name5-chloro-1-(4,4-difluoro-1-methylpiperidin-3-yl)pyrazol-4-amine
SMILESCN1CCC(F)(F)C(n2ncc(N)c2Cl)C1
InChIInChI=1S/C9H13ClF2N4/c1-15-3-2-9(11,12)7(5-15)16-8(10)6(13)4-14-16/h4,7H,2-3,5,13H2,1H3
InChIKeyRTWFUFOISOCGAS-UHFFFAOYSA-N
XLogP1.63
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.68
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(4,4-difluoro-1-methylpiperidin-3-yl)pyrazol-4-amine?
The IUPAC name of 5-chloro-1-(4,4-difluoro-1-methylpiperidin-3-yl)pyrazol-4-amine (CID 118288830) is 5-chloro-1-(4,4-difluoro-1-methylpiperidin-3-yl)pyrazol-4-amine.
What is the SMILES notation for 5-chloro-1-(4,4-difluoro-1-methylpiperidin-3-yl)pyrazol-4-amine?
The canonical SMILES for 5-chloro-1-(4,4-difluoro-1-methylpiperidin-3-yl)pyrazol-4-amine is CN1CCC(F)(F)C(n2ncc(N)c2Cl)C1.
What is the InChIKey of 5-chloro-1-(4,4-difluoro-1-methylpiperidin-3-yl)pyrazol-4-amine?
The InChIKey is RTWFUFOISOCGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClF2N4/c1-15-3-2-9(11,12)7(5-15)16-8(10)6(13)4-14-16/h4,7H,2-3,5,13H2,1H3.
What are the key properties of 5-chloro-1-(4,4-difluoro-1-methylpiperidin-3-yl)pyrazol-4-amine?
5-chloro-1-(4,4-difluoro-1-methylpiperidin-3-yl)pyrazol-4-amine has a molecular weight of 250.68 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(4,4-difluoro-1-methylpiperidin-3-yl)pyrazol-4-amine is sourced from PubChem (CID 118288830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).