3-methoxy-2-methyl-1-(1-propylpyrazol-4-yl)propan-1-ol

C11H20N2O2 — CID 116502650

IUPAC3-methoxy-2-methyl-1-(1-propylpyrazol-4-yl)propan-1-ol
SMILESCCCn1cc(C(O)C(C)COC)cn1
InChIInChI=1S/C11H20N2O2/c1-4-5-13-7-10(6-12-13)11(14)9(2)8-15-3/h6-7,9,11,14H,4-5,8H2,1-3H3
InChIKeyCLYDKGFZPDMPNN-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.61
Rot. Bonds6

About 3-methoxy-2-methyl-1-(1-propylpyrazol-4-yl)propan-1-ol

3-methoxy-2-methyl-1-(1-propylpyrazol-4-yl)propan-1-ol (PubChem CID 116502650) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 3-methoxy-2-methyl-1-(1-propylpyrazol-4-yl)propan-1-ol.

Molecular Properties

Compound Name3-methoxy-2-methyl-1-(1-propylpyrazol-4-yl)propan-1-ol
PubChem CID116502650
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name3-methoxy-2-methyl-1-(1-propylpyrazol-4-yl)propan-1-ol
SMILESCCCn1cc(C(O)C(C)COC)cn1
InChIInChI=1S/C11H20N2O2/c1-4-5-13-7-10(6-12-13)11(14)9(2)8-15-3/h6-7,9,11,14H,4-5,8H2,1-3H3
InChIKeyCLYDKGFZPDMPNN-UHFFFAOYSA-N
XLogP1.61
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-1-(1-propylpyrazol-4-yl)butan-1-ol
CID 63895086
2-amino-3-methyl-1-(1-propylpyrazol-4-yl)butan-1-ol
CID 103572279
methanol;4-propan-2-yl-1-propylpyrazole
CID 164911743
4-hydroxy-2,3-dimethyl-4-(1-propylpyrazol-4-yl)butanoic acid
CID 103572854
2-methylsulfonyl-1-(1-propylpyrazol-4-yl)propan-1-ol
CID 114981633
2-methyl-1-(1-methylpyrazol-4-yl)butan-1-ol
CID 61088216
4-butan-2-yl-1-propylpyrazole
CID 130194925
N-[(2S)-1-methoxypropan-2-yl]-1-propylpyrazol-4-amine
CID 97338513
2-methoxy-1-(1-propylpyrazol-4-yl)propan-1-amine
CID 79617281
3,4-dihydroxy-4-(1-propylpyrazol-4-yl)butanamide
CID 171898832
1-(1-ethylpyrazol-4-yl)-4-methoxy-3-methylbutan-1-ol
CID 105081848
methyl 2-amino-2-(1-propylpyrazol-4-yl)acetate
CID 103572127

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-methyl-1-(1-propylpyrazol-4-yl)propan-1-ol?
The IUPAC name of 3-methoxy-2-methyl-1-(1-propylpyrazol-4-yl)propan-1-ol (CID 116502650) is 3-methoxy-2-methyl-1-(1-propylpyrazol-4-yl)propan-1-ol.
What is the SMILES notation for 3-methoxy-2-methyl-1-(1-propylpyrazol-4-yl)propan-1-ol?
The canonical SMILES for 3-methoxy-2-methyl-1-(1-propylpyrazol-4-yl)propan-1-ol is CCCn1cc(C(O)C(C)COC)cn1.
What is the InChIKey of 3-methoxy-2-methyl-1-(1-propylpyrazol-4-yl)propan-1-ol?
The InChIKey is CLYDKGFZPDMPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-4-5-13-7-10(6-12-13)11(14)9(2)8-15-3/h6-7,9,11,14H,4-5,8H2,1-3H3.
What are the key properties of 3-methoxy-2-methyl-1-(1-propylpyrazol-4-yl)propan-1-ol?
3-methoxy-2-methyl-1-(1-propylpyrazol-4-yl)propan-1-ol has a molecular weight of 212.29 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-methyl-1-(1-propylpyrazol-4-yl)propan-1-ol is sourced from PubChem (CID 116502650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).