1-cyclopropyl-1-ethoxy-3-(1-methylpyrazol-4-yl)propan-2-ol

C12H20N2O2 — CID 116712818

IUPAC1-cyclopropyl-1-ethoxy-3-(1-methylpyrazol-4-yl)propan-2-ol
SMILESCCOC(C(O)Cc1cnn(C)c1)C1CC1
InChIInChI=1S/C12H20N2O2/c1-3-16-12(10-4-5-10)11(15)6-9-7-13-14(2)8-9/h7-8,10-12,15H,3-6H2,1-2H3
InChIKeySHXXELHMGAUCDP-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.14
Rot. Bonds6

About 1-cyclopropyl-1-ethoxy-3-(1-methylpyrazol-4-yl)propan-2-ol

1-cyclopropyl-1-ethoxy-3-(1-methylpyrazol-4-yl)propan-2-ol (PubChem CID 116712818) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-cyclopropyl-1-ethoxy-3-(1-methylpyrazol-4-yl)propan-2-ol.

Molecular Properties

Compound Name1-cyclopropyl-1-ethoxy-3-(1-methylpyrazol-4-yl)propan-2-ol
PubChem CID116712818
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name1-cyclopropyl-1-ethoxy-3-(1-methylpyrazol-4-yl)propan-2-ol
SMILESCCOC(C(O)Cc1cnn(C)c1)C1CC1
InChIInChI=1S/C12H20N2O2/c1-3-16-12(10-4-5-10)11(15)6-9-7-13-14(2)8-9/h7-8,10-12,15H,3-6H2,1-2H3
InChIKeySHXXELHMGAUCDP-UHFFFAOYSA-N
XLogP1.14
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-1-ethoxy-4-(1-methylpyrazol-4-yl)butan-2-ol
CID 103008567
3-ethoxy-1-(1-methylpyrazol-4-yl)butan-2-ol
CID 64541540
4-ethoxy-1-(1-methylpyrazol-4-yl)pentan-3-ol
CID 103008145
5-ethoxy-1-(1-methylpyrazol-4-yl)pentan-2-ol
CID 105082767
1-cyclopropyl-1-methoxy-N-methyl-3-(1-methylpyrazol-4-yl)propan-2-amine
CID 116722205
1-cycloheptyl-2-(1-methylpyrazol-4-yl)ethanol
CID 65398921
3-ethyl-1-(1-methylpyrazol-4-yl)heptan-2-ol
CID 115780380
1-cyclopropyl-1-ethoxy-3-methoxypropan-2-ol
CID 116712870
1-methoxy-3-(1-methylpyrazol-4-yl)propan-2-ol
CID 62127498
1-(4-tert-butylcyclohexyl)-2-(1-methylpyrazol-4-yl)ethanol
CID 65402789
1-(4-butylcyclohexyl)-2-(1-methylpyrazol-4-yl)ethanol
CID 115780399
4,4,4-trifluoro-1-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)butan-2-ol
CID 103312451

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-ethoxy-3-(1-methylpyrazol-4-yl)propan-2-ol?
The IUPAC name of 1-cyclopropyl-1-ethoxy-3-(1-methylpyrazol-4-yl)propan-2-ol (CID 116712818) is 1-cyclopropyl-1-ethoxy-3-(1-methylpyrazol-4-yl)propan-2-ol.
What is the SMILES notation for 1-cyclopropyl-1-ethoxy-3-(1-methylpyrazol-4-yl)propan-2-ol?
The canonical SMILES for 1-cyclopropyl-1-ethoxy-3-(1-methylpyrazol-4-yl)propan-2-ol is CCOC(C(O)Cc1cnn(C)c1)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-ethoxy-3-(1-methylpyrazol-4-yl)propan-2-ol?
The InChIKey is SHXXELHMGAUCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-3-16-12(10-4-5-10)11(15)6-9-7-13-14(2)8-9/h7-8,10-12,15H,3-6H2,1-2H3.
What are the key properties of 1-cyclopropyl-1-ethoxy-3-(1-methylpyrazol-4-yl)propan-2-ol?
1-cyclopropyl-1-ethoxy-3-(1-methylpyrazol-4-yl)propan-2-ol has a molecular weight of 224.30 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-ethoxy-3-(1-methylpyrazol-4-yl)propan-2-ol is sourced from PubChem (CID 116712818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).