cyclobutyl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone

C14H16N2O — CID 122703599

IUPACcyclobutyl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone
SMILESO=C(C1CCC1)N1N=CCC1c1ccccc1
InChIInChI=1S/C14H16N2O/c17-14(12-7-4-8-12)16-13(9-10-15-16)11-5-2-1-3-6-11/h1-3,5-6,10,12-13H,4,7-9H2
InChIKeyBULOQKINPKUMDS-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.75
Rot. Bonds2

About cyclobutyl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone

cyclobutyl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone (PubChem CID 122703599) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is cyclobutyl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone.

Molecular Properties

Compound Namecyclobutyl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone
PubChem CID122703599
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Namecyclobutyl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone
SMILESO=C(C1CCC1)N1N=CCC1c1ccccc1
InChIInChI=1S/C14H16N2O/c17-14(12-7-4-8-12)16-13(9-10-15-16)11-5-2-1-3-6-11/h1-3,5-6,10,12-13H,4,7-9H2
InChIKeyBULOQKINPKUMDS-UHFFFAOYSA-N
XLogP2.75
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclobutyl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone?
The IUPAC name of cyclobutyl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone (CID 122703599) is cyclobutyl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone.
What is the SMILES notation for cyclobutyl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone?
The canonical SMILES for cyclobutyl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone is O=C(C1CCC1)N1N=CCC1c1ccccc1.
What is the InChIKey of cyclobutyl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone?
The InChIKey is BULOQKINPKUMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c17-14(12-7-4-8-12)16-13(9-10-15-16)11-5-2-1-3-6-11/h1-3,5-6,10,12-13H,4,7-9H2.
What are the key properties of cyclobutyl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone?
cyclobutyl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone has a molecular weight of 228.30 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone is sourced from PubChem (CID 122703599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).