(2S,3R)-3-amino-1-fluoro-4-pyrazol-1-ylbutan-2-ol

C7H12FN3O — CID 135132851

IUPAC(2S,3R)-3-amino-1-fluoro-4-pyrazol-1-ylbutan-2-ol
SMILESN[C@H](Cn1cccn1)[C@H](O)CF
InChIInChI=1S/C7H12FN3O/c8-4-7(12)6(9)5-11-3-1-2-10-11/h1-3,6-7,12H,4-5,9H2/t6-,7-/m1/s1
InChIKeySXKBDWKPPGBRJO-RNFRBKRXSA-N
MW173.19 g/mol
LogP-0.46
Rot. Bonds4

About (2S,3R)-3-amino-1-fluoro-4-pyrazol-1-ylbutan-2-ol

(2S,3R)-3-amino-1-fluoro-4-pyrazol-1-ylbutan-2-ol (PubChem CID 135132851) has the molecular formula C7H12FN3O and a molecular weight of 173.19 g/mol. Its IUPAC name is (2S,3R)-3-amino-1-fluoro-4-pyrazol-1-ylbutan-2-ol.

Molecular Properties

Compound Name(2S,3R)-3-amino-1-fluoro-4-pyrazol-1-ylbutan-2-ol
PubChem CID135132851
Molecular FormulaC7H12FN3O
Molecular Weight173.19 g/mol
Exact Mass173.10
IUPAC Name(2S,3R)-3-amino-1-fluoro-4-pyrazol-1-ylbutan-2-ol
SMILESN[C@H](Cn1cccn1)[C@H](O)CF
InChIInChI=1S/C7H12FN3O/c8-4-7(12)6(9)5-11-3-1-2-10-11/h1-3,6-7,12H,4-5,9H2/t6-,7-/m1/s1
InChIKeySXKBDWKPPGBRJO-RNFRBKRXSA-N
XLogP-0.46
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.19
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1H-pyrazol-1-yl)butan-2-ol
CID 61766078
1-(1H-pyrazol-1-yl)propan-2-ol
CID 19621383
1-amino-3-(1H-pyrazol-1-yl)propan-2-ol
CID 16782636
3-(1H-pyrazol-1-yl)propan-1-ol
CID 17608730
2-(1H-Pyrazol-1-yl)propan-1-ol
CID 21835219
(2R)-4-(1H-pyrazol-1-yl)butan-2-ol
CID 93982947
(1r,3r)-3-(1H-pyrazol-1-yl)cyclobutan-1-ol
CID 130861369
3-amino-2-(1H-pyrazol-1-yl)cyclobutan-1-ol dihydrochloride
CID 121553839
(1s,3s)-3-(1H-pyrazol-1-yl)cyclobutan-1-ol hydrochloride
CID 145901749
rac-(1R,2R,3S)-3-amino-2-(1H-pyrazol-1-yl)cyclobutan-1-ol
CID 122164134
1,1,1-trifluoro-3-(1H-pyrazol-1-yl)propan-2-ol
CID 63900634
(2S)-1,1,1-trifluoro-3-pyrazol-1-ylpropan-2-ol
CID 124508863

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-amino-1-fluoro-4-pyrazol-1-ylbutan-2-ol?
The IUPAC name of (2S,3R)-3-amino-1-fluoro-4-pyrazol-1-ylbutan-2-ol (CID 135132851) is (2S,3R)-3-amino-1-fluoro-4-pyrazol-1-ylbutan-2-ol.
What is the SMILES notation for (2S,3R)-3-amino-1-fluoro-4-pyrazol-1-ylbutan-2-ol?
The canonical SMILES for (2S,3R)-3-amino-1-fluoro-4-pyrazol-1-ylbutan-2-ol is N[C@H](Cn1cccn1)[C@H](O)CF.
What is the InChIKey of (2S,3R)-3-amino-1-fluoro-4-pyrazol-1-ylbutan-2-ol?
The InChIKey is SXKBDWKPPGBRJO-RNFRBKRXSA-N. The full InChI is InChI=1S/C7H12FN3O/c8-4-7(12)6(9)5-11-3-1-2-10-11/h1-3,6-7,12H,4-5,9H2/t6-,7-/m1/s1.
What are the key properties of (2S,3R)-3-amino-1-fluoro-4-pyrazol-1-ylbutan-2-ol?
(2S,3R)-3-amino-1-fluoro-4-pyrazol-1-ylbutan-2-ol has a molecular weight of 173.19 g/mol, XLogP of -0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-amino-1-fluoro-4-pyrazol-1-ylbutan-2-ol is sourced from PubChem (CID 135132851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).