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

C15H18N2O — CID 122703585

IUPACcyclopentyl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone
SMILESO=C(C1CCCC1)N1N=CCC1c1ccccc1
InChIInChI=1S/C15H18N2O/c18-15(13-8-4-5-9-13)17-14(10-11-16-17)12-6-2-1-3-7-12/h1-3,6-7,11,13-14H,4-5,8-10H2
InChIKeyQKVJJBFCEGFPPG-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.14
Rot. Bonds2

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

cyclopentyl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone (PubChem CID 122703585) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is cyclopentyl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone.

Molecular Properties

Compound Namecyclopentyl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone
PubChem CID122703585
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Namecyclopentyl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone
SMILESO=C(C1CCCC1)N1N=CCC1c1ccccc1
InChIInChI=1S/C15H18N2O/c18-15(13-8-4-5-9-13)17-14(10-11-16-17)12-6-2-1-3-7-12/h1-3,6-7,11,13-14H,4-5,8-10H2
InChIKeyQKVJJBFCEGFPPG-UHFFFAOYSA-N
XLogP3.14
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone?
The IUPAC name of cyclopentyl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone (CID 122703585) is cyclopentyl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone.
What is the SMILES notation for cyclopentyl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone?
The canonical SMILES for cyclopentyl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone is O=C(C1CCCC1)N1N=CCC1c1ccccc1.
What is the InChIKey of cyclopentyl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone?
The InChIKey is QKVJJBFCEGFPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c18-15(13-8-4-5-9-13)17-14(10-11-16-17)12-6-2-1-3-7-12/h1-3,6-7,11,13-14H,4-5,8-10H2.
What are the key properties of cyclopentyl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone?
cyclopentyl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone has a molecular weight of 242.32 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone is sourced from PubChem (CID 122703585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).