1-(4-cyclopropyl-5-methyl-1H-pyrazol-3-yl)ethanone

C9H12N2O — CID 82372744

IUPAC1-(4-cyclopropyl-5-methyl-1H-pyrazol-3-yl)ethanone
SMILESCC(=O)c1n[nH]c(C)c1C1CC1
InChIInChI=1S/C9H12N2O/c1-5-8(7-3-4-7)9(6(2)12)11-10-5/h7H,3-4H2,1-2H3,(H,10,11)
InChIKeyXJBOJSOMNYKKJC-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.80
Rot. Bonds2

About 1-(4-cyclopropyl-5-methyl-1H-pyrazol-3-yl)ethanone

1-(4-cyclopropyl-5-methyl-1H-pyrazol-3-yl)ethanone (PubChem CID 82372744) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 1-(4-cyclopropyl-5-methyl-1H-pyrazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(4-cyclopropyl-5-methyl-1H-pyrazol-3-yl)ethanone
PubChem CID82372744
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name1-(4-cyclopropyl-5-methyl-1H-pyrazol-3-yl)ethanone
SMILESCC(=O)c1n[nH]c(C)c1C1CC1
InChIInChI=1S/C9H12N2O/c1-5-8(7-3-4-7)9(6(2)12)11-10-5/h7H,3-4H2,1-2H3,(H,10,11)
InChIKeyXJBOJSOMNYKKJC-UHFFFAOYSA-N
XLogP1.80
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropyl-5-methyl-1H-pyrazol-3-yl)ethanone?
The IUPAC name of 1-(4-cyclopropyl-5-methyl-1H-pyrazol-3-yl)ethanone (CID 82372744) is 1-(4-cyclopropyl-5-methyl-1H-pyrazol-3-yl)ethanone.
What is the SMILES notation for 1-(4-cyclopropyl-5-methyl-1H-pyrazol-3-yl)ethanone?
The canonical SMILES for 1-(4-cyclopropyl-5-methyl-1H-pyrazol-3-yl)ethanone is CC(=O)c1n[nH]c(C)c1C1CC1.
What is the InChIKey of 1-(4-cyclopropyl-5-methyl-1H-pyrazol-3-yl)ethanone?
The InChIKey is XJBOJSOMNYKKJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-5-8(7-3-4-7)9(6(2)12)11-10-5/h7H,3-4H2,1-2H3,(H,10,11).
What are the key properties of 1-(4-cyclopropyl-5-methyl-1H-pyrazol-3-yl)ethanone?
1-(4-cyclopropyl-5-methyl-1H-pyrazol-3-yl)ethanone has a molecular weight of 164.21 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropyl-5-methyl-1H-pyrazol-3-yl)ethanone is sourced from PubChem (CID 82372744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).