(4-methoxy-1-methylpyrazol-5-yl)-(3-methylcyclohexyl)methanone

C13H20N2O2 — CID 114639658

IUPAC(4-methoxy-1-methylpyrazol-5-yl)-(3-methylcyclohexyl)methanone
SMILESCOc1cnn(C)c1C(=O)C1CCCC(C)C1
InChIInChI=1S/C13H20N2O2/c1-9-5-4-6-10(7-9)13(16)12-11(17-3)8-14-15(12)2/h8-10H,4-7H2,1-3H3
InChIKeyGINAPLQKVLHOBY-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.44
Rot. Bonds3

About (4-methoxy-1-methylpyrazol-5-yl)-(3-methylcyclohexyl)methanone

(4-methoxy-1-methylpyrazol-5-yl)-(3-methylcyclohexyl)methanone (PubChem CID 114639658) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is (4-methoxy-1-methylpyrazol-5-yl)-(3-methylcyclohexyl)methanone.

Molecular Properties

Compound Name(4-methoxy-1-methylpyrazol-5-yl)-(3-methylcyclohexyl)methanone
PubChem CID114639658
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name(4-methoxy-1-methylpyrazol-5-yl)-(3-methylcyclohexyl)methanone
SMILESCOc1cnn(C)c1C(=O)C1CCCC(C)C1
InChIInChI=1S/C13H20N2O2/c1-9-5-4-6-10(7-9)13(16)12-11(17-3)8-14-15(12)2/h8-10H,4-7H2,1-3H3
InChIKeyGINAPLQKVLHOBY-UHFFFAOYSA-N
XLogP2.44
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(4-methoxy-1-methylpyrazol-5-yl)methanone
CID 115809701
6-bicyclo[3.1.0]hexanyl-(4-methoxy-1-methylpyrazol-5-yl)methanone
CID 115809767
(4-methoxy-1-methylpyrazol-5-yl)-(2-methylcyclopropyl)methanone
CID 114640859
7-bicyclo[4.1.0]heptanyl-(4-methoxy-1-methylpyrazol-5-yl)methanone
CID 115809603
(4-methoxy-1-methylpyrazol-5-yl)-(thiolan-2-yl)methanone
CID 114641814
(2-aminocyclohexyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone
CID 114669670
cyclohexyl-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 114639235
(3-ethylcyclohexyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone
CID 114640768
4-methoxy-1-methylpyrazole-5-carboxylic acid
CID 46398720
cycloheptyl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone
CID 114640723
(2-methoxy-5-methylphenyl)-(3-methylcyclohexyl)methanone
CID 62795415
methyl 4-methoxy-1-methylpyrazole-5-carboxylate
CID 106942430

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-1-methylpyrazol-5-yl)-(3-methylcyclohexyl)methanone?
The IUPAC name of (4-methoxy-1-methylpyrazol-5-yl)-(3-methylcyclohexyl)methanone (CID 114639658) is (4-methoxy-1-methylpyrazol-5-yl)-(3-methylcyclohexyl)methanone.
What is the SMILES notation for (4-methoxy-1-methylpyrazol-5-yl)-(3-methylcyclohexyl)methanone?
The canonical SMILES for (4-methoxy-1-methylpyrazol-5-yl)-(3-methylcyclohexyl)methanone is COc1cnn(C)c1C(=O)C1CCCC(C)C1.
What is the InChIKey of (4-methoxy-1-methylpyrazol-5-yl)-(3-methylcyclohexyl)methanone?
The InChIKey is GINAPLQKVLHOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9-5-4-6-10(7-9)13(16)12-11(17-3)8-14-15(12)2/h8-10H,4-7H2,1-3H3.
What are the key properties of (4-methoxy-1-methylpyrazol-5-yl)-(3-methylcyclohexyl)methanone?
(4-methoxy-1-methylpyrazol-5-yl)-(3-methylcyclohexyl)methanone has a molecular weight of 236.31 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-1-methylpyrazol-5-yl)-(3-methylcyclohexyl)methanone is sourced from PubChem (CID 114639658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).