(2S)-2-(4-tert-butylpyrazol-1-yl)-3-fluoropropan-1-ol

C10H17FN2O — CID 176827724

IUPAC(2S)-2-(4-tert-butylpyrazol-1-yl)-3-fluoropropan-1-ol
SMILESCC(C)(C)c1cnn([C@@H](CO)CF)c1
InChIInChI=1S/C10H17FN2O/c1-10(2,3)8-5-12-13(6-8)9(4-11)7-14/h5-6,9,14H,4,7H2,1-3H3/t9-/m1/s1
InChIKeyUFIQKPCWRDAUSY-SECBINFHSA-N
MW200.26 g/mol
LogP1.68
Rot. Bonds3

About (2S)-2-(4-tert-butylpyrazol-1-yl)-3-fluoropropan-1-ol

(2S)-2-(4-tert-butylpyrazol-1-yl)-3-fluoropropan-1-ol (PubChem CID 176827724) has the molecular formula C10H17FN2O and a molecular weight of 200.26 g/mol. Its IUPAC name is (2S)-2-(4-tert-butylpyrazol-1-yl)-3-fluoropropan-1-ol.

Molecular Properties

Compound Name(2S)-2-(4-tert-butylpyrazol-1-yl)-3-fluoropropan-1-ol
PubChem CID176827724
Molecular FormulaC10H17FN2O
Molecular Weight200.26 g/mol
Exact Mass200.13
IUPAC Name(2S)-2-(4-tert-butylpyrazol-1-yl)-3-fluoropropan-1-ol
SMILESCC(C)(C)c1cnn([C@@H](CO)CF)c1
InChIInChI=1S/C10H17FN2O/c1-10(2,3)8-5-12-13(6-8)9(4-11)7-14/h5-6,9,14H,4,7H2,1-3H3/t9-/m1/s1
InChIKeyUFIQKPCWRDAUSY-SECBINFHSA-N
XLogP1.68
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-tert-butylpyrazol-1-yl)-3-fluoropropan-1-ol?
The IUPAC name of (2S)-2-(4-tert-butylpyrazol-1-yl)-3-fluoropropan-1-ol (CID 176827724) is (2S)-2-(4-tert-butylpyrazol-1-yl)-3-fluoropropan-1-ol.
What is the SMILES notation for (2S)-2-(4-tert-butylpyrazol-1-yl)-3-fluoropropan-1-ol?
The canonical SMILES for (2S)-2-(4-tert-butylpyrazol-1-yl)-3-fluoropropan-1-ol is CC(C)(C)c1cnn([C@@H](CO)CF)c1.
What is the InChIKey of (2S)-2-(4-tert-butylpyrazol-1-yl)-3-fluoropropan-1-ol?
The InChIKey is UFIQKPCWRDAUSY-SECBINFHSA-N. The full InChI is InChI=1S/C10H17FN2O/c1-10(2,3)8-5-12-13(6-8)9(4-11)7-14/h5-6,9,14H,4,7H2,1-3H3/t9-/m1/s1.
What are the key properties of (2S)-2-(4-tert-butylpyrazol-1-yl)-3-fluoropropan-1-ol?
(2S)-2-(4-tert-butylpyrazol-1-yl)-3-fluoropropan-1-ol has a molecular weight of 200.26 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-tert-butylpyrazol-1-yl)-3-fluoropropan-1-ol is sourced from PubChem (CID 176827724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).