5-chloro-1-[(3S,4S)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-amine

C11H16ClFN4O — CID 118288798

IUPAC5-chloro-1-[(3S,4S)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-amine
SMILESNc1cnn([C@H]2CCN(C3COC3)C[C@@H]2F)c1Cl
InChIInChI=1S/C11H16ClFN4O/c12-11-9(14)3-15-17(11)10-1-2-16(4-8(10)13)7-5-18-6-7/h3,7-8,10H,1-2,4-6,14H2/t8-,10-/m0/s1
InChIKeyHAVZARVPJOGOSJ-WPRPVWTQSA-N
MW274.73 g/mol
LogP1.10
Rot. Bonds2

About 5-chloro-1-[(3S,4S)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-amine

5-chloro-1-[(3S,4S)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-amine (PubChem CID 118288798) has the molecular formula C11H16ClFN4O and a molecular weight of 274.73 g/mol. Its IUPAC name is 5-chloro-1-[(3S,4S)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-amine.

Molecular Properties

Compound Name5-chloro-1-[(3S,4S)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-amine
PubChem CID118288798
Molecular FormulaC11H16ClFN4O
Molecular Weight274.73 g/mol
Exact Mass274.10
IUPAC Name5-chloro-1-[(3S,4S)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-amine
SMILESNc1cnn([C@H]2CCN(C3COC3)C[C@@H]2F)c1Cl
InChIInChI=1S/C11H16ClFN4O/c12-11-9(14)3-15-17(11)10-1-2-16(4-8(10)13)7-5-18-6-7/h3,7-8,10H,1-2,4-6,14H2/t8-,10-/m0/s1
InChIKeyHAVZARVPJOGOSJ-WPRPVWTQSA-N
XLogP1.10
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.73
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(3S,4S)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-amine?
The IUPAC name of 5-chloro-1-[(3S,4S)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-amine (CID 118288798) is 5-chloro-1-[(3S,4S)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-amine.
What is the SMILES notation for 5-chloro-1-[(3S,4S)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-amine?
The canonical SMILES for 5-chloro-1-[(3S,4S)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-amine is Nc1cnn([C@H]2CCN(C3COC3)C[C@@H]2F)c1Cl.
What is the InChIKey of 5-chloro-1-[(3S,4S)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-amine?
The InChIKey is HAVZARVPJOGOSJ-WPRPVWTQSA-N. The full InChI is InChI=1S/C11H16ClFN4O/c12-11-9(14)3-15-17(11)10-1-2-16(4-8(10)13)7-5-18-6-7/h3,7-8,10H,1-2,4-6,14H2/t8-,10-/m0/s1.
What are the key properties of 5-chloro-1-[(3S,4S)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-amine?
5-chloro-1-[(3S,4S)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-amine has a molecular weight of 274.73 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[(3S,4S)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-amine is sourced from PubChem (CID 118288798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).