5-cyclopropyl-2-(4,4-dimethylcyclohexyl)-4H-pyrazol-3-one

C14H22N2O — CID 167747691

IUPAC5-cyclopropyl-2-(4,4-dimethylcyclohexyl)-4H-pyrazol-3-one
SMILESCC1(C)CCC(N2N=C(C3CC3)CC2=O)CC1
InChIInChI=1S/C14H22N2O/c1-14(2)7-5-11(6-8-14)16-13(17)9-12(15-16)10-3-4-10/h10-11H,3-9H2,1-2H3
InChIKeyYPEIMPRNURDXFZ-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.95
Rot. Bonds2

About 5-cyclopropyl-2-(4,4-dimethylcyclohexyl)-4H-pyrazol-3-one

5-cyclopropyl-2-(4,4-dimethylcyclohexyl)-4H-pyrazol-3-one (PubChem CID 167747691) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 5-cyclopropyl-2-(4,4-dimethylcyclohexyl)-4H-pyrazol-3-one.

Molecular Properties

Compound Name5-cyclopropyl-2-(4,4-dimethylcyclohexyl)-4H-pyrazol-3-one
PubChem CID167747691
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name5-cyclopropyl-2-(4,4-dimethylcyclohexyl)-4H-pyrazol-3-one
SMILESCC1(C)CCC(N2N=C(C3CC3)CC2=O)CC1
InChIInChI=1S/C14H22N2O/c1-14(2)7-5-11(6-8-14)16-13(17)9-12(15-16)10-3-4-10/h10-11H,3-9H2,1-2H3
InChIKeyYPEIMPRNURDXFZ-UHFFFAOYSA-N
XLogP2.95
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-(4,4-dimethylcyclohexyl)-4H-pyrazol-3-one?
The IUPAC name of 5-cyclopropyl-2-(4,4-dimethylcyclohexyl)-4H-pyrazol-3-one (CID 167747691) is 5-cyclopropyl-2-(4,4-dimethylcyclohexyl)-4H-pyrazol-3-one.
What is the SMILES notation for 5-cyclopropyl-2-(4,4-dimethylcyclohexyl)-4H-pyrazol-3-one?
The canonical SMILES for 5-cyclopropyl-2-(4,4-dimethylcyclohexyl)-4H-pyrazol-3-one is CC1(C)CCC(N2N=C(C3CC3)CC2=O)CC1.
What is the InChIKey of 5-cyclopropyl-2-(4,4-dimethylcyclohexyl)-4H-pyrazol-3-one?
The InChIKey is YPEIMPRNURDXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-14(2)7-5-11(6-8-14)16-13(17)9-12(15-16)10-3-4-10/h10-11H,3-9H2,1-2H3.
What are the key properties of 5-cyclopropyl-2-(4,4-dimethylcyclohexyl)-4H-pyrazol-3-one?
5-cyclopropyl-2-(4,4-dimethylcyclohexyl)-4H-pyrazol-3-one has a molecular weight of 234.34 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-(4,4-dimethylcyclohexyl)-4H-pyrazol-3-one is sourced from PubChem (CID 167747691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).