5-cyclopropyl-2-propan-2-yl-4H-pyrazol-3-one

C9H14N2O — CID 63353400

IUPAC5-cyclopropyl-2-propan-2-yl-4H-pyrazol-3-one
SMILESCC(C)N1N=C(C2CC2)CC1=O
InChIInChI=1S/C9H14N2O/c1-6(2)11-9(12)5-8(10-11)7-3-4-7/h6-7H,3-5H2,1-2H3
InChIKeyWRVGSQJDMQIRPL-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.39
Rot. Bonds2

About 5-cyclopropyl-2-propan-2-yl-4H-pyrazol-3-one

5-cyclopropyl-2-propan-2-yl-4H-pyrazol-3-one (PubChem CID 63353400) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 5-cyclopropyl-2-propan-2-yl-4H-pyrazol-3-one.

Molecular Properties

Compound Name5-cyclopropyl-2-propan-2-yl-4H-pyrazol-3-one
PubChem CID63353400
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name5-cyclopropyl-2-propan-2-yl-4H-pyrazol-3-one
SMILESCC(C)N1N=C(C2CC2)CC1=O
InChIInChI=1S/C9H14N2O/c1-6(2)11-9(12)5-8(10-11)7-3-4-7/h6-7H,3-5H2,1-2H3
InChIKeyWRVGSQJDMQIRPL-UHFFFAOYSA-N
XLogP1.39
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-propan-2-yl-4H-pyrazol-3-one?
The IUPAC name of 5-cyclopropyl-2-propan-2-yl-4H-pyrazol-3-one (CID 63353400) is 5-cyclopropyl-2-propan-2-yl-4H-pyrazol-3-one.
What is the SMILES notation for 5-cyclopropyl-2-propan-2-yl-4H-pyrazol-3-one?
The canonical SMILES for 5-cyclopropyl-2-propan-2-yl-4H-pyrazol-3-one is CC(C)N1N=C(C2CC2)CC1=O.
What is the InChIKey of 5-cyclopropyl-2-propan-2-yl-4H-pyrazol-3-one?
The InChIKey is WRVGSQJDMQIRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-6(2)11-9(12)5-8(10-11)7-3-4-7/h6-7H,3-5H2,1-2H3.
What are the key properties of 5-cyclopropyl-2-propan-2-yl-4H-pyrazol-3-one?
5-cyclopropyl-2-propan-2-yl-4H-pyrazol-3-one has a molecular weight of 166.22 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-propan-2-yl-4H-pyrazol-3-one is sourced from PubChem (CID 63353400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).