2-(1-ethylpyrazol-4-yl)-1,1-dimethoxypropan-2-ol

C10H18N2O3 — CID 66039566

IUPAC2-(1-ethylpyrazol-4-yl)-1,1-dimethoxypropan-2-ol
SMILESCCn1cc(C(C)(O)C(OC)OC)cn1
InChIInChI=1S/C10H18N2O3/c1-5-12-7-8(6-11-12)10(2,13)9(14-3)15-4/h6-7,9,13H,5H2,1-4H3
InChIKeyIPZOQYWDPYLDOH-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.73
Rot. Bonds5

About 2-(1-ethylpyrazol-4-yl)-1,1-dimethoxypropan-2-ol

2-(1-ethylpyrazol-4-yl)-1,1-dimethoxypropan-2-ol (PubChem CID 66039566) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-(1-ethylpyrazol-4-yl)-1,1-dimethoxypropan-2-ol.

Molecular Properties

Compound Name2-(1-ethylpyrazol-4-yl)-1,1-dimethoxypropan-2-ol
PubChem CID66039566
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name2-(1-ethylpyrazol-4-yl)-1,1-dimethoxypropan-2-ol
SMILESCCn1cc(C(C)(O)C(OC)OC)cn1
InChIInChI=1S/C10H18N2O3/c1-5-12-7-8(6-11-12)10(2,13)9(14-3)15-4/h6-7,9,13H,5H2,1-4H3
InChIKeyIPZOQYWDPYLDOH-UHFFFAOYSA-N
XLogP0.73
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-amino-2-(1-ethylpyrazol-4-yl)butan-2-ol
CID 130574320
1-(tert-butylamino)-2-(1-ethylpyrazol-4-yl)propan-2-ol
CID 66038938
2-(1-ethylpyrazol-4-yl)-2-methylpropan-1-amine
CID 81020936
3-(1-ethylpyrazol-4-yl)-3-fluorobutan-2-amine
CID 130574621
2-(1-ethylpyrazol-4-yl)-1-(2-methylpropylamino)propan-2-ol
CID 66036811
2-ethyl-1-(1-ethylpyrazol-4-yl)butane-1,2-diol
CID 103449416
1-(1-ethylpyrazol-4-yl)-1-thiophen-2-ylethanol
CID 63220679
1-(1-ethylpyrazol-4-yl)-2-methoxy-3,3-dimethyl-N-propylbutan-1-amine
CID 116724937
4-(1-ethylpyrazol-4-yl)-4-fluoro-5-methoxypentan-1-amine
CID 103392590
1-(1-ethylpyrazol-4-yl)-2-methyl-2-phenylpropan-1-ol
CID 63086390
1-amino-3-(1-ethylpyrazol-4-yl)-2-methylpropan-2-ol
CID 66037685
N-[(1-ethylpyrazol-4-yl)methyl]-1,1,1-trifluoro-3,3-dimethoxypropan-2-amine
CID 162690406

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpyrazol-4-yl)-1,1-dimethoxypropan-2-ol?
The IUPAC name of 2-(1-ethylpyrazol-4-yl)-1,1-dimethoxypropan-2-ol (CID 66039566) is 2-(1-ethylpyrazol-4-yl)-1,1-dimethoxypropan-2-ol.
What is the SMILES notation for 2-(1-ethylpyrazol-4-yl)-1,1-dimethoxypropan-2-ol?
The canonical SMILES for 2-(1-ethylpyrazol-4-yl)-1,1-dimethoxypropan-2-ol is CCn1cc(C(C)(O)C(OC)OC)cn1.
What is the InChIKey of 2-(1-ethylpyrazol-4-yl)-1,1-dimethoxypropan-2-ol?
The InChIKey is IPZOQYWDPYLDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-5-12-7-8(6-11-12)10(2,13)9(14-3)15-4/h6-7,9,13H,5H2,1-4H3.
What are the key properties of 2-(1-ethylpyrazol-4-yl)-1,1-dimethoxypropan-2-ol?
2-(1-ethylpyrazol-4-yl)-1,1-dimethoxypropan-2-ol has a molecular weight of 214.26 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpyrazol-4-yl)-1,1-dimethoxypropan-2-ol is sourced from PubChem (CID 66039566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).