cycloheptyl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone

C15H24N2O2 — CID 114640723

IUPACcycloheptyl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone
SMILESCOc1cnn(C(C)C)c1C(=O)C1CCCCCC1
InChIInChI=1S/C15H24N2O2/c1-11(2)17-14(13(19-3)10-16-17)15(18)12-8-6-4-5-7-9-12/h10-12H,4-9H2,1-3H3
InChIKeyFMKBCTWWXXLCFZ-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.63
Rot. Bonds4

About cycloheptyl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone

cycloheptyl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone (PubChem CID 114640723) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is cycloheptyl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone.

Molecular Properties

Compound Namecycloheptyl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone
PubChem CID114640723
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Namecycloheptyl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone
SMILESCOc1cnn(C(C)C)c1C(=O)C1CCCCCC1
InChIInChI=1S/C15H24N2O2/c1-11(2)17-14(13(19-3)10-16-17)15(18)12-8-6-4-5-7-9-12/h10-12H,4-9H2,1-3H3
InChIKeyFMKBCTWWXXLCFZ-UHFFFAOYSA-N
XLogP3.63
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-ethylcyclohexyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone
CID 114640768
(3,3-difluorocyclopentyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone
CID 114215584
(2,2-dimethylcyclohexyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone
CID 107187571
2-cyclopropyl-2-hydroxy-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanone
CID 103455882
3-cyclopentyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)propan-1-one
CID 115810604
cyclohexyl-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 114639235
2,3-dihydro-1H-inden-1-yl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone
CID 114640841
(4-bromo-1-propan-2-ylpyrazol-5-yl)-cyclopropylmethanone
CID 114639277
2,2-diethoxy-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanone
CID 114641410
3,3,3-trifluoro-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-(trifluoromethyl)propan-1-one
CID 103311596
2,3-dihydro-1-benzofuran-3-yl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone
CID 114642156
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3-piperidin-3-ylpropan-1-one
CID 114668828

Frequently Asked Questions

What is the IUPAC name of cycloheptyl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone?
The IUPAC name of cycloheptyl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone (CID 114640723) is cycloheptyl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone.
What is the SMILES notation for cycloheptyl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone?
The canonical SMILES for cycloheptyl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone is COc1cnn(C(C)C)c1C(=O)C1CCCCCC1.
What is the InChIKey of cycloheptyl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone?
The InChIKey is FMKBCTWWXXLCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-11(2)17-14(13(19-3)10-16-17)15(18)12-8-6-4-5-7-9-12/h10-12H,4-9H2,1-3H3.
What are the key properties of cycloheptyl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone?
cycloheptyl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone has a molecular weight of 264.37 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptyl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone is sourced from PubChem (CID 114640723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).