1-(3-cyclopropyl-1-ethylpyrazol-4-yl)-2-methylpropan-1-one

C12H18N2O — CID 112713436

IUPAC1-(3-cyclopropyl-1-ethylpyrazol-4-yl)-2-methylpropan-1-one
SMILESCCn1cc(C(=O)C(C)C)c(C2CC2)n1
InChIInChI=1S/C12H18N2O/c1-4-14-7-10(12(15)8(2)3)11(13-14)9-5-6-9/h7-9H,4-6H2,1-3H3
InChIKeyCOKKRNIYFQTEIV-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.62
Rot. Bonds4

About 1-(3-cyclopropyl-1-ethylpyrazol-4-yl)-2-methylpropan-1-one

1-(3-cyclopropyl-1-ethylpyrazol-4-yl)-2-methylpropan-1-one (PubChem CID 112713436) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-(3-cyclopropyl-1-ethylpyrazol-4-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(3-cyclopropyl-1-ethylpyrazol-4-yl)-2-methylpropan-1-one
PubChem CID112713436
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name1-(3-cyclopropyl-1-ethylpyrazol-4-yl)-2-methylpropan-1-one
SMILESCCn1cc(C(=O)C(C)C)c(C2CC2)n1
InChIInChI=1S/C12H18N2O/c1-4-14-7-10(12(15)8(2)3)11(13-14)9-5-6-9/h7-9H,4-6H2,1-3H3
InChIKeyCOKKRNIYFQTEIV-UHFFFAOYSA-N
XLogP2.62
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropyl-1-ethylpyrazol-4-yl)-2-methylpropan-1-one?
The IUPAC name of 1-(3-cyclopropyl-1-ethylpyrazol-4-yl)-2-methylpropan-1-one (CID 112713436) is 1-(3-cyclopropyl-1-ethylpyrazol-4-yl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(3-cyclopropyl-1-ethylpyrazol-4-yl)-2-methylpropan-1-one?
The canonical SMILES for 1-(3-cyclopropyl-1-ethylpyrazol-4-yl)-2-methylpropan-1-one is CCn1cc(C(=O)C(C)C)c(C2CC2)n1.
What is the InChIKey of 1-(3-cyclopropyl-1-ethylpyrazol-4-yl)-2-methylpropan-1-one?
The InChIKey is COKKRNIYFQTEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-4-14-7-10(12(15)8(2)3)11(13-14)9-5-6-9/h7-9H,4-6H2,1-3H3.
What are the key properties of 1-(3-cyclopropyl-1-ethylpyrazol-4-yl)-2-methylpropan-1-one?
1-(3-cyclopropyl-1-ethylpyrazol-4-yl)-2-methylpropan-1-one has a molecular weight of 206.29 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropyl-1-ethylpyrazol-4-yl)-2-methylpropan-1-one is sourced from PubChem (CID 112713436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).