5-cyclopropyl-2-(1-cyclopropylethyl)-1H-pyrazol-3-one

C11H16N2O — CID 66022946

IUPAC5-cyclopropyl-2-(1-cyclopropylethyl)-1H-pyrazol-3-one
SMILESCC(C1CC1)n1[nH]c(C2CC2)cc1=O
InChIInChI=1S/C11H16N2O/c1-7(8-2-3-8)13-11(14)6-10(12-13)9-4-5-9/h6-9,12H,2-5H2,1H3
InChIKeyFMJUNECQLUSUEV-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.02
Rot. Bonds3

About 5-cyclopropyl-2-(1-cyclopropylethyl)-1H-pyrazol-3-one

5-cyclopropyl-2-(1-cyclopropylethyl)-1H-pyrazol-3-one (PubChem CID 66022946) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 5-cyclopropyl-2-(1-cyclopropylethyl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name5-cyclopropyl-2-(1-cyclopropylethyl)-1H-pyrazol-3-one
PubChem CID66022946
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name5-cyclopropyl-2-(1-cyclopropylethyl)-1H-pyrazol-3-one
SMILESCC(C1CC1)n1[nH]c(C2CC2)cc1=O
InChIInChI=1S/C11H16N2O/c1-7(8-2-3-8)13-11(14)6-10(12-13)9-4-5-9/h6-9,12H,2-5H2,1H3
InChIKeyFMJUNECQLUSUEV-UHFFFAOYSA-N
XLogP2.02
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-(1-cyclopropylethyl)-1H-pyrazol-3-one?
The IUPAC name of 5-cyclopropyl-2-(1-cyclopropylethyl)-1H-pyrazol-3-one (CID 66022946) is 5-cyclopropyl-2-(1-cyclopropylethyl)-1H-pyrazol-3-one.
What is the SMILES notation for 5-cyclopropyl-2-(1-cyclopropylethyl)-1H-pyrazol-3-one?
The canonical SMILES for 5-cyclopropyl-2-(1-cyclopropylethyl)-1H-pyrazol-3-one is CC(C1CC1)n1[nH]c(C2CC2)cc1=O.
What is the InChIKey of 5-cyclopropyl-2-(1-cyclopropylethyl)-1H-pyrazol-3-one?
The InChIKey is FMJUNECQLUSUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-7(8-2-3-8)13-11(14)6-10(12-13)9-4-5-9/h6-9,12H,2-5H2,1H3.
What are the key properties of 5-cyclopropyl-2-(1-cyclopropylethyl)-1H-pyrazol-3-one?
5-cyclopropyl-2-(1-cyclopropylethyl)-1H-pyrazol-3-one has a molecular weight of 192.26 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-(1-cyclopropylethyl)-1H-pyrazol-3-one is sourced from PubChem (CID 66022946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).