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

C14H22N2O2 — CID 114639235

IUPACcyclohexyl-(4-methoxy-1-propylpyrazol-5-yl)methanone
SMILESCCCn1ncc(OC)c1C(=O)C1CCCCC1
InChIInChI=1S/C14H22N2O2/c1-3-9-16-13(12(18-2)10-15-16)14(17)11-7-5-4-6-8-11/h10-11H,3-9H2,1-2H3
InChIKeyPYOJXWGMKWIBBG-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.06
Rot. Bonds5

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

cyclohexyl-(4-methoxy-1-propylpyrazol-5-yl)methanone (PubChem CID 114639235) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is cyclohexyl-(4-methoxy-1-propylpyrazol-5-yl)methanone.

Molecular Properties

Compound Namecyclohexyl-(4-methoxy-1-propylpyrazol-5-yl)methanone
PubChem CID114639235
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Namecyclohexyl-(4-methoxy-1-propylpyrazol-5-yl)methanone
SMILESCCCn1ncc(OC)c1C(=O)C1CCCCC1
InChIInChI=1S/C14H22N2O2/c1-3-9-16-13(12(18-2)10-15-16)14(17)11-7-5-4-6-8-11/h10-11H,3-9H2,1-2H3
InChIKeyPYOJXWGMKWIBBG-UHFFFAOYSA-N
XLogP3.06
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1,1-dioxothiolan-3-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 114641974
1,4-dithian-2-yl-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 114641533
cycloheptyl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone
CID 114640723
[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(oxan-3-yl)methanone
CID 114640631
(4-methoxy-1-propylpyrazol-5-yl)-(1-methylcyclohexyl)methanone
CID 106829733
7-bicyclo[4.1.0]heptanyl-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]methanone
CID 115803154
(1-ethyl-4-methoxypyrazol-5-yl)-[4-(trifluoromethyl)cyclohexyl]methanone
CID 105133074
(2,6-dichlorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 115810962
cyclopenten-1-yl-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 103448192
(4-methoxy-1-propylpyrazol-5-yl)-(4-propylmorpholin-2-yl)methanone
CID 114641469
2-(1-aminocyclopentyl)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanone
CID 114669614
7-bicyclo[4.1.0]heptanyl-(4-methoxy-1-methylpyrazol-5-yl)methanone
CID 115809603

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(4-methoxy-1-propylpyrazol-5-yl)methanone?
The IUPAC name of cyclohexyl-(4-methoxy-1-propylpyrazol-5-yl)methanone (CID 114639235) is cyclohexyl-(4-methoxy-1-propylpyrazol-5-yl)methanone.
What is the SMILES notation for cyclohexyl-(4-methoxy-1-propylpyrazol-5-yl)methanone?
The canonical SMILES for cyclohexyl-(4-methoxy-1-propylpyrazol-5-yl)methanone is CCCn1ncc(OC)c1C(=O)C1CCCCC1.
What is the InChIKey of cyclohexyl-(4-methoxy-1-propylpyrazol-5-yl)methanone?
The InChIKey is PYOJXWGMKWIBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-9-16-13(12(18-2)10-15-16)14(17)11-7-5-4-6-8-11/h10-11H,3-9H2,1-2H3.
What are the key properties of cyclohexyl-(4-methoxy-1-propylpyrazol-5-yl)methanone?
cyclohexyl-(4-methoxy-1-propylpyrazol-5-yl)methanone has a molecular weight of 250.34 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(4-methoxy-1-propylpyrazol-5-yl)methanone is sourced from PubChem (CID 114639235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).