cyclopenten-1-yl-(4-methoxy-1-propylpyrazol-5-yl)methanone

C13H18N2O2 — CID 103448192

IUPACcyclopenten-1-yl-(4-methoxy-1-propylpyrazol-5-yl)methanone
SMILESCCCn1ncc(OC)c1C(=O)C1=CCCC1
InChIInChI=1S/C13H18N2O2/c1-3-8-15-12(11(17-2)9-14-15)13(16)10-6-4-5-7-10/h6,9H,3-5,7-8H2,1-2H3
InChIKeyAVKCCUPKDIEBMO-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.59
Rot. Bonds5

About cyclopenten-1-yl-(4-methoxy-1-propylpyrazol-5-yl)methanone

cyclopenten-1-yl-(4-methoxy-1-propylpyrazol-5-yl)methanone (PubChem CID 103448192) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is cyclopenten-1-yl-(4-methoxy-1-propylpyrazol-5-yl)methanone.

Molecular Properties

Compound Namecyclopenten-1-yl-(4-methoxy-1-propylpyrazol-5-yl)methanone
PubChem CID103448192
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Namecyclopenten-1-yl-(4-methoxy-1-propylpyrazol-5-yl)methanone
SMILESCCCn1ncc(OC)c1C(=O)C1=CCCC1
InChIInChI=1S/C13H18N2O2/c1-3-8-15-12(11(17-2)9-14-15)13(16)10-6-4-5-7-10/h6,9H,3-5,7-8H2,1-2H3
InChIKeyAVKCCUPKDIEBMO-UHFFFAOYSA-N
XLogP2.59
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methoxy-1-propylpyrazol-5-yl)-(1-methylcyclohexyl)methanone
CID 106829733
(1,5-dimethylpyrazol-4-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 105133531
cyclohexyl-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 114639235
(2,6-dichlorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 115810962
(4-methoxy-1-propylpyrazol-5-yl)-(4-methyl-2-pyridinyl)methanone
CID 114640154
(3-chlorothiophen-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 115810952
(3-fluoro-4-pyridinyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 114641960
(4-methoxy-1-propylpyrazol-5-yl)-(1,3-thiazol-4-yl)methanone
CID 114641762
(4-methoxy-1-propylpyrazol-5-yl)-pyridin-2-ylmethanone
CID 114638964
(3-ethylpyrrolidin-3-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 114669216
cyclopenten-1-yl-(3-propyltriazol-4-yl)methanone
CID 103448123
(4-methoxy-1-propylpyrazol-5-yl)-(4-methyl-3-pyridinyl)methanone
CID 114877609

Frequently Asked Questions

What is the IUPAC name of cyclopenten-1-yl-(4-methoxy-1-propylpyrazol-5-yl)methanone?
The IUPAC name of cyclopenten-1-yl-(4-methoxy-1-propylpyrazol-5-yl)methanone (CID 103448192) is cyclopenten-1-yl-(4-methoxy-1-propylpyrazol-5-yl)methanone.
What is the SMILES notation for cyclopenten-1-yl-(4-methoxy-1-propylpyrazol-5-yl)methanone?
The canonical SMILES for cyclopenten-1-yl-(4-methoxy-1-propylpyrazol-5-yl)methanone is CCCn1ncc(OC)c1C(=O)C1=CCCC1.
What is the InChIKey of cyclopenten-1-yl-(4-methoxy-1-propylpyrazol-5-yl)methanone?
The InChIKey is AVKCCUPKDIEBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-3-8-15-12(11(17-2)9-14-15)13(16)10-6-4-5-7-10/h6,9H,3-5,7-8H2,1-2H3.
What are the key properties of cyclopenten-1-yl-(4-methoxy-1-propylpyrazol-5-yl)methanone?
cyclopenten-1-yl-(4-methoxy-1-propylpyrazol-5-yl)methanone has a molecular weight of 234.30 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenten-1-yl-(4-methoxy-1-propylpyrazol-5-yl)methanone is sourced from PubChem (CID 103448192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).