1-cyclopropyl-1-ethoxy-4-(2-methylpyrazol-3-yl)butan-2-one

C13H20N2O2 — CID 103007918

IUPAC1-cyclopropyl-1-ethoxy-4-(2-methylpyrazol-3-yl)butan-2-one
SMILESCCOC(C(=O)CCc1ccnn1C)C1CC1
InChIInChI=1S/C13H20N2O2/c1-3-17-13(10-4-5-10)12(16)7-6-11-8-9-14-15(11)2/h8-10,13H,3-7H2,1-2H3
InChIKeyXGZMOXWTTNUNMI-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.74
Rot. Bonds7

About 1-cyclopropyl-1-ethoxy-4-(2-methylpyrazol-3-yl)butan-2-one

1-cyclopropyl-1-ethoxy-4-(2-methylpyrazol-3-yl)butan-2-one (PubChem CID 103007918) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-cyclopropyl-1-ethoxy-4-(2-methylpyrazol-3-yl)butan-2-one.

Molecular Properties

Compound Name1-cyclopropyl-1-ethoxy-4-(2-methylpyrazol-3-yl)butan-2-one
PubChem CID103007918
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-cyclopropyl-1-ethoxy-4-(2-methylpyrazol-3-yl)butan-2-one
SMILESCCOC(C(=O)CCc1ccnn1C)C1CC1
InChIInChI=1S/C13H20N2O2/c1-3-17-13(10-4-5-10)12(16)7-6-11-8-9-14-15(11)2/h8-10,13H,3-7H2,1-2H3
InChIKeyXGZMOXWTTNUNMI-UHFFFAOYSA-N
XLogP1.74
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-1-(2-methylpyrazol-3-yl)hexan-3-one
CID 103024188
2-cyclopropyl-2-[3-(2-methylpyrazol-3-yl)propanoylamino]acetic acid
CID 120521290
1-(2-methylpyrazol-3-yl)-4-methylsulfonylpentan-3-one
CID 103024265
1-cyclohexyl-4-(2-methylpyrazol-3-yl)butan-2-one
CID 103024333
1-amino-4-(2-methylpyrazol-3-yl)-1-phenylbutan-2-one
CID 103023503
1-(3-bicyclo[3.1.0]hexanyl)-3-(2-methylpyrazol-3-yl)propan-1-one
CID 103024286
1-cyclopropyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 104695065
2-methyl-4-(2-methylpyrazol-3-yl)butanoic acid
CID 103005024
[1-cyclohexyl-1-ethoxy-4-(2-methylpyrazol-3-yl)butan-2-yl]hydrazine
CID 103027149
3-(2-methylpyrazol-3-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-one
CID 103007449
5-ethyl-1-(2-methylpyrazol-3-yl)hept-4-en-3-one
CID 103458670
5-(4-chloro-4-cyclopropylbutyl)-1-methylpyrazole
CID 103013956

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-ethoxy-4-(2-methylpyrazol-3-yl)butan-2-one?
The IUPAC name of 1-cyclopropyl-1-ethoxy-4-(2-methylpyrazol-3-yl)butan-2-one (CID 103007918) is 1-cyclopropyl-1-ethoxy-4-(2-methylpyrazol-3-yl)butan-2-one.
What is the SMILES notation for 1-cyclopropyl-1-ethoxy-4-(2-methylpyrazol-3-yl)butan-2-one?
The canonical SMILES for 1-cyclopropyl-1-ethoxy-4-(2-methylpyrazol-3-yl)butan-2-one is CCOC(C(=O)CCc1ccnn1C)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-ethoxy-4-(2-methylpyrazol-3-yl)butan-2-one?
The InChIKey is XGZMOXWTTNUNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-3-17-13(10-4-5-10)12(16)7-6-11-8-9-14-15(11)2/h8-10,13H,3-7H2,1-2H3.
What are the key properties of 1-cyclopropyl-1-ethoxy-4-(2-methylpyrazol-3-yl)butan-2-one?
1-cyclopropyl-1-ethoxy-4-(2-methylpyrazol-3-yl)butan-2-one has a molecular weight of 236.31 g/mol, XLogP of 1.74, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-ethoxy-4-(2-methylpyrazol-3-yl)butan-2-one is sourced from PubChem (CID 103007918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).