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

C12H19FN4O — CID 140765935

IUPAC1-[(3R,4S)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]-5-methylpyrazol-4-amine
SMILESCc1c(N)cnn1[C@H]1CCN(C2COC2)C[C@H]1F
InChIInChI=1S/C12H19FN4O/c1-8-11(14)4-15-17(8)12-2-3-16(5-10(12)13)9-6-18-7-9/h4,9-10,12H,2-3,5-7,14H2,1H3/t10-,12+/m1/s1
InChIKeyFCRINDMVGKIGEV-PWSUYJOCSA-N
MW254.31 g/mol
LogP0.76
Rot. Bonds2

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

1-[(3R,4S)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]-5-methylpyrazol-4-amine (PubChem CID 140765935) has the molecular formula C12H19FN4O and a molecular weight of 254.31 g/mol. Its IUPAC name is 1-[(3R,4S)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]-5-methylpyrazol-4-amine.

Molecular Properties

Compound Name1-[(3R,4S)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]-5-methylpyrazol-4-amine
PubChem CID140765935
Molecular FormulaC12H19FN4O
Molecular Weight254.31 g/mol
Exact Mass254.15
IUPAC Name1-[(3R,4S)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]-5-methylpyrazol-4-amine
SMILESCc1c(N)cnn1[C@H]1CCN(C2COC2)C[C@H]1F
InChIInChI=1S/C12H19FN4O/c1-8-11(14)4-15-17(8)12-2-3-16(5-10(12)13)9-6-18-7-9/h4,9-10,12H,2-3,5-7,14H2,1H3/t10-,12+/m1/s1
InChIKeyFCRINDMVGKIGEV-PWSUYJOCSA-N
XLogP0.76
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(3R,4S)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]-5-methylpyrazol-4-amine with MolForge

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Related Compounds

5-methyl-1-(oxan-4-yl)-1H-pyrazol-4-amine
CID 69281503
1-(2-methoxyethyl)-3-methyl-1H-pyrazol-4-amine
CID 69281507
5-methyl-1-(oxolan-3-yl)-1H-pyrazol-4-amine
CID 69281515
3-methyl-1-(1-methylpiperidin-4-yl)-1H-pyrazol-4-amine
CID 69281646
3-methyl-1-(oxan-4-yl)-1H-pyrazol-4-amine dihydrochloride
CID 126797068
5-methyl-1-(1-methylpiperidin-4-yl)-1H-pyrazol-4-amine dihydrochloride
CID 138991278
3-Methyl-1-(oxan-4-yl)-1H-pyrazol-4-amine
CID 69281508
5-Methyl-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-amine
CID 69281538
3-Methyl-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-amine
CID 69281539
5-Methyl-1-(1-methylpiperidin-4-yl)-1h-pyrazol-4-amine
CID 69281542
1-(3-Fluoro-1-methylpiperidin-4-yl)-3-methylpyrazol-4-amine
CID 69281655
1-(1-Ethyl-3-fluoropiperidin-4-yl)-3-methylpyrazol-4-amine
CID 69281656

Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4S)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]-5-methylpyrazol-4-amine?
The IUPAC name of 1-[(3R,4S)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]-5-methylpyrazol-4-amine (CID 140765935) is 1-[(3R,4S)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]-5-methylpyrazol-4-amine.
What is the SMILES notation for 1-[(3R,4S)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]-5-methylpyrazol-4-amine?
The canonical SMILES for 1-[(3R,4S)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]-5-methylpyrazol-4-amine is Cc1c(N)cnn1[C@H]1CCN(C2COC2)C[C@H]1F.
What is the InChIKey of 1-[(3R,4S)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]-5-methylpyrazol-4-amine?
The InChIKey is FCRINDMVGKIGEV-PWSUYJOCSA-N. The full InChI is InChI=1S/C12H19FN4O/c1-8-11(14)4-15-17(8)12-2-3-16(5-10(12)13)9-6-18-7-9/h4,9-10,12H,2-3,5-7,14H2,1H3/t10-,12+/m1/s1.
What are the key properties of 1-[(3R,4S)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]-5-methylpyrazol-4-amine?
1-[(3R,4S)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]-5-methylpyrazol-4-amine has a molecular weight of 254.31 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,4S)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]-5-methylpyrazol-4-amine is sourced from PubChem (CID 140765935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).