(2R)-1-(1,3,5-trimethylpyrazol-4-yl)oxypropan-2-ol

C9H16N2O2 — CID 106933152

IUPAC(2R)-1-(1,3,5-trimethylpyrazol-4-yl)oxypropan-2-ol
SMILESCc1nn(C)c(C)c1OC[C@@H](C)O
InChIInChI=1S/C9H16N2O2/c1-6(12)5-13-9-7(2)10-11(4)8(9)3/h6,12H,5H2,1-4H3/t6-/m1/s1
InChIKeyUWTOXFJYJUBGKM-ZCFIWIBFSA-N
MW184.24 g/mol
LogP0.80
Rot. Bonds3

About (2R)-1-(1,3,5-trimethylpyrazol-4-yl)oxypropan-2-ol

(2R)-1-(1,3,5-trimethylpyrazol-4-yl)oxypropan-2-ol (PubChem CID 106933152) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is (2R)-1-(1,3,5-trimethylpyrazol-4-yl)oxypropan-2-ol.

Molecular Properties

Compound Name(2R)-1-(1,3,5-trimethylpyrazol-4-yl)oxypropan-2-ol
PubChem CID106933152
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name(2R)-1-(1,3,5-trimethylpyrazol-4-yl)oxypropan-2-ol
SMILESCc1nn(C)c(C)c1OC[C@@H](C)O
InChIInChI=1S/C9H16N2O2/c1-6(12)5-13-9-7(2)10-11(4)8(9)3/h6,12H,5H2,1-4H3/t6-/m1/s1
InChIKeyUWTOXFJYJUBGKM-ZCFIWIBFSA-N
XLogP0.80
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxyethanol
CID 81137734
4-(cyclopropylmethoxy)-1,3,5-trimethylpyrazole
CID 130616608
1-[4-(1-methoxypropan-2-yl)piperazin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyethanone
CID 71853351
N-(3-aminobutyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide;hydrochloride
CID 119498514
3,5-dimethyl-4-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2-oxazole
CID 71971325
3-[1-(2-methylpropoxy)ethyl]-5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2,4-oxadiazole
CID 71920867
5-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]pentan-2-ol
CID 107270383
N-(2-aminoethyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide;hydrochloride
CID 119384708
3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)butan-1-ol
CID 105076282
4-[2-(2-methoxyphenoxy)ethoxy]-1,3,5-trimethylpyrazole
CID 75484395
2-(1,3,5-trimethylpyrazol-4-yl)oxypentanoic acid
CID 83038740
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide;hydrochloride
CID 119526824

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(1,3,5-trimethylpyrazol-4-yl)oxypropan-2-ol?
The IUPAC name of (2R)-1-(1,3,5-trimethylpyrazol-4-yl)oxypropan-2-ol (CID 106933152) is (2R)-1-(1,3,5-trimethylpyrazol-4-yl)oxypropan-2-ol.
What is the SMILES notation for (2R)-1-(1,3,5-trimethylpyrazol-4-yl)oxypropan-2-ol?
The canonical SMILES for (2R)-1-(1,3,5-trimethylpyrazol-4-yl)oxypropan-2-ol is Cc1nn(C)c(C)c1OC[C@@H](C)O.
What is the InChIKey of (2R)-1-(1,3,5-trimethylpyrazol-4-yl)oxypropan-2-ol?
The InChIKey is UWTOXFJYJUBGKM-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-6(12)5-13-9-7(2)10-11(4)8(9)3/h6,12H,5H2,1-4H3/t6-/m1/s1.
What are the key properties of (2R)-1-(1,3,5-trimethylpyrazol-4-yl)oxypropan-2-ol?
(2R)-1-(1,3,5-trimethylpyrazol-4-yl)oxypropan-2-ol has a molecular weight of 184.24 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(1,3,5-trimethylpyrazol-4-yl)oxypropan-2-ol is sourced from PubChem (CID 106933152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).