3-cyclopropyl-2-ethyl-1H-pyrazol-5-one

C8H12N2O — CID 105429729

IUPAC3-cyclopropyl-2-ethyl-1H-pyrazol-5-one
SMILESCCn1[nH]c(=O)cc1C1CC1
InChIInChI=1S/C8H12N2O/c1-2-10-7(6-3-4-6)5-8(11)9-10/h5-6H,2-4H2,1H3,(H,9,11)
InChIKeyHJMMBGIKOJSGJK-UHFFFAOYSA-N
MW152.20 g/mol
LogP1.07
Rot. Bonds2

About 3-cyclopropyl-2-ethyl-1H-pyrazol-5-one

3-cyclopropyl-2-ethyl-1H-pyrazol-5-one (PubChem CID 105429729) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 3-cyclopropyl-2-ethyl-1H-pyrazol-5-one.

Molecular Properties

Compound Name3-cyclopropyl-2-ethyl-1H-pyrazol-5-one
PubChem CID105429729
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name3-cyclopropyl-2-ethyl-1H-pyrazol-5-one
SMILESCCn1[nH]c(=O)cc1C1CC1
InChIInChI=1S/C8H12N2O/c1-2-10-7(6-3-4-6)5-8(11)9-10/h5-6H,2-4H2,1H3,(H,9,11)
InChIKeyHJMMBGIKOJSGJK-UHFFFAOYSA-N
XLogP1.07
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-2-ethyl-1H-pyrazol-5-one?
The IUPAC name of 3-cyclopropyl-2-ethyl-1H-pyrazol-5-one (CID 105429729) is 3-cyclopropyl-2-ethyl-1H-pyrazol-5-one.
What is the SMILES notation for 3-cyclopropyl-2-ethyl-1H-pyrazol-5-one?
The canonical SMILES for 3-cyclopropyl-2-ethyl-1H-pyrazol-5-one is CCn1[nH]c(=O)cc1C1CC1.
What is the InChIKey of 3-cyclopropyl-2-ethyl-1H-pyrazol-5-one?
The InChIKey is HJMMBGIKOJSGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-2-10-7(6-3-4-6)5-8(11)9-10/h5-6H,2-4H2,1H3,(H,9,11).
What are the key properties of 3-cyclopropyl-2-ethyl-1H-pyrazol-5-one?
3-cyclopropyl-2-ethyl-1H-pyrazol-5-one has a molecular weight of 152.20 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-2-ethyl-1H-pyrazol-5-one is sourced from PubChem (CID 105429729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).