(2S)-1-methoxy-4-pyrazol-1-ylbutan-2-ol

C8H14N2O2 — CID 134462752

IUPAC(2S)-1-methoxy-4-pyrazol-1-ylbutan-2-ol
SMILESCOC[C@@H](O)CCn1cccn1
InChIInChI=1S/C8H14N2O2/c1-12-7-8(11)3-6-10-5-2-4-9-10/h2,4-5,8,11H,3,6-7H2,1H3/t8-/m0/s1
InChIKeyOZLDZJATMUKQQS-QMMMGPOBSA-N
MW170.21 g/mol
LogP0.28
Rot. Bonds5

About (2S)-1-methoxy-4-pyrazol-1-ylbutan-2-ol

(2S)-1-methoxy-4-pyrazol-1-ylbutan-2-ol (PubChem CID 134462752) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is (2S)-1-methoxy-4-pyrazol-1-ylbutan-2-ol.

Molecular Properties

Compound Name(2S)-1-methoxy-4-pyrazol-1-ylbutan-2-ol
PubChem CID134462752
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name(2S)-1-methoxy-4-pyrazol-1-ylbutan-2-ol
SMILESCOC[C@@H](O)CCn1cccn1
InChIInChI=1S/C8H14N2O2/c1-12-7-8(11)3-6-10-5-2-4-9-10/h2,4-5,8,11H,3,6-7H2,1H3/t8-/m0/s1
InChIKeyOZLDZJATMUKQQS-QMMMGPOBSA-N
XLogP0.28
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-methoxy-3-pyrazol-1-ylpropan-2-ol
CID 131206814
N-(2-hydroxy-3-methoxypropyl)-N-methyl-3-pyrazol-1-ylpropanamide
CID 54993303
1-[(3S)-4-fluoro-3-methoxybutyl]pyrazole
CID 134462774
4-O-[2-[[(E)-4-methoxy-4-oxobut-2-enoyl]oxymethyl]-4-pyrazol-1-ylbutyl] 1-O-methyl (E)-but-2-enedioate
CID 122436278
1-pyrazol-1-ylpentan-3-amine
CID 130305339
(2R)-1-(4-pyrazol-1-ylbutan-2-ylamino)propan-2-ol
CID 103952260
1-(2-methoxyethyl)-1-methyl-3-[(2R)-4-pyrazol-1-ylbutan-2-yl]urea
CID 126453238
methyl 2-(propan-2-ylamino)-4-pyrazol-1-ylbutanoate
CID 63040313
1-(2-methoxyethoxyamino)-3-pyrazol-1-ylpropan-2-ol
CID 82722523
1-ethoxy-3-(2-pyrazol-1-ylethylamino)propan-2-ol
CID 63932971
(2S)-2-(4-pyrazol-1-ylbutan-2-ylamino)propan-1-ol
CID 103952125
1-(2-butoxyethoxy)-3-(2-pyrazol-1-ylethylamino)propan-2-ol
CID 61462857

Frequently Asked Questions

What is the IUPAC name of (2S)-1-methoxy-4-pyrazol-1-ylbutan-2-ol?
The IUPAC name of (2S)-1-methoxy-4-pyrazol-1-ylbutan-2-ol (CID 134462752) is (2S)-1-methoxy-4-pyrazol-1-ylbutan-2-ol.
What is the SMILES notation for (2S)-1-methoxy-4-pyrazol-1-ylbutan-2-ol?
The canonical SMILES for (2S)-1-methoxy-4-pyrazol-1-ylbutan-2-ol is COC[C@@H](O)CCn1cccn1.
What is the InChIKey of (2S)-1-methoxy-4-pyrazol-1-ylbutan-2-ol?
The InChIKey is OZLDZJATMUKQQS-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-12-7-8(11)3-6-10-5-2-4-9-10/h2,4-5,8,11H,3,6-7H2,1H3/t8-/m0/s1.
What are the key properties of (2S)-1-methoxy-4-pyrazol-1-ylbutan-2-ol?
(2S)-1-methoxy-4-pyrazol-1-ylbutan-2-ol has a molecular weight of 170.21 g/mol, XLogP of 0.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-methoxy-4-pyrazol-1-ylbutan-2-ol is sourced from PubChem (CID 134462752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).