5-cyclopropyl-1-methyl-2-naphthalen-1-ylpyrazol-3-one

C17H16N2O — CID 68678117

IUPAC5-cyclopropyl-1-methyl-2-naphthalen-1-ylpyrazol-3-one
SMILESCn1c(C2CC2)cc(=O)n1-c1cccc2ccccc12
InChIInChI=1S/C17H16N2O/c1-18-16(13-9-10-13)11-17(20)19(18)15-8-4-6-12-5-2-3-7-14(12)15/h2-8,11,13H,9-10H2,1H3
InChIKeyMKEYJUWKLDXESV-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.21
Rot. Bonds2

About 5-cyclopropyl-1-methyl-2-naphthalen-1-ylpyrazol-3-one

5-cyclopropyl-1-methyl-2-naphthalen-1-ylpyrazol-3-one (PubChem CID 68678117) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 5-cyclopropyl-1-methyl-2-naphthalen-1-ylpyrazol-3-one.

Molecular Properties

Compound Name5-cyclopropyl-1-methyl-2-naphthalen-1-ylpyrazol-3-one
PubChem CID68678117
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name5-cyclopropyl-1-methyl-2-naphthalen-1-ylpyrazol-3-one
SMILESCn1c(C2CC2)cc(=O)n1-c1cccc2ccccc12
InChIInChI=1S/C17H16N2O/c1-18-16(13-9-10-13)11-17(20)19(18)15-8-4-6-12-5-2-3-7-14(12)15/h2-8,11,13H,9-10H2,1H3
InChIKeyMKEYJUWKLDXESV-UHFFFAOYSA-N
XLogP3.21
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-methyl-2-naphthalen-1-ylpyrazol-3-one?
The IUPAC name of 5-cyclopropyl-1-methyl-2-naphthalen-1-ylpyrazol-3-one (CID 68678117) is 5-cyclopropyl-1-methyl-2-naphthalen-1-ylpyrazol-3-one.
What is the SMILES notation for 5-cyclopropyl-1-methyl-2-naphthalen-1-ylpyrazol-3-one?
The canonical SMILES for 5-cyclopropyl-1-methyl-2-naphthalen-1-ylpyrazol-3-one is Cn1c(C2CC2)cc(=O)n1-c1cccc2ccccc12.
What is the InChIKey of 5-cyclopropyl-1-methyl-2-naphthalen-1-ylpyrazol-3-one?
The InChIKey is MKEYJUWKLDXESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-18-16(13-9-10-13)11-17(20)19(18)15-8-4-6-12-5-2-3-7-14(12)15/h2-8,11,13H,9-10H2,1H3.
What are the key properties of 5-cyclopropyl-1-methyl-2-naphthalen-1-ylpyrazol-3-one?
5-cyclopropyl-1-methyl-2-naphthalen-1-ylpyrazol-3-one has a molecular weight of 264.33 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-methyl-2-naphthalen-1-ylpyrazol-3-one is sourced from PubChem (CID 68678117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).