(1-ethylpyrazol-4-yl)-(1-methoxy-3-methylcyclohexyl)methanone

C14H22N2O2 — CID 116749640

IUPAC(1-ethylpyrazol-4-yl)-(1-methoxy-3-methylcyclohexyl)methanone
SMILESCCn1cc(C(=O)C2(OC)CCCC(C)C2)cn1
InChIInChI=1S/C14H22N2O2/c1-4-16-10-12(9-15-16)13(17)14(18-3)7-5-6-11(2)8-14/h9-11H,4-8H2,1-3H3
InChIKeyDCOKJXPOQPCZPU-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.68
Rot. Bonds4

About (1-ethylpyrazol-4-yl)-(1-methoxy-3-methylcyclohexyl)methanone

(1-ethylpyrazol-4-yl)-(1-methoxy-3-methylcyclohexyl)methanone (PubChem CID 116749640) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is (1-ethylpyrazol-4-yl)-(1-methoxy-3-methylcyclohexyl)methanone.

Molecular Properties

Compound Name(1-ethylpyrazol-4-yl)-(1-methoxy-3-methylcyclohexyl)methanone
PubChem CID116749640
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name(1-ethylpyrazol-4-yl)-(1-methoxy-3-methylcyclohexyl)methanone
SMILESCCn1cc(C(=O)C2(OC)CCCC(C)C2)cn1
InChIInChI=1S/C14H22N2O2/c1-4-16-10-12(9-15-16)13(17)14(18-3)7-5-6-11(2)8-14/h9-11H,4-8H2,1-3H3
InChIKeyDCOKJXPOQPCZPU-UHFFFAOYSA-N
XLogP2.68
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1-ethylpyrazol-4-yl)-(1-methoxy-3-methylcyclohexyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

furan-3-yl-(1-methoxy-3-methylcyclohexyl)methanone
CID 116749625
(4-chloro-1-methylpyrazol-5-yl)-(1-methoxy-3-methylcyclohexyl)methanone
CID 114642790
(4-cyclobutylphenyl)-(1-methoxy-3-methylcyclohexyl)methanone
CID 116749559
(2,2-dimethylcyclopentyl)-(1-ethylpyrazol-4-yl)methanone
CID 107186691
(1-ethoxy-3-methylcyclohexyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanone
CID 114642804
1-(1-ethylpyrazol-4-yl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylmethanamine
CID 116767747
(1-ethoxy-3-methylcyclohexyl)-(5-methoxy-3-pyridinyl)methanone
CID 116749881
(1-ethoxycycloheptyl)-(1-propylpyrazol-4-yl)methanone
CID 116750733
cyclooctyl-(1-ethylpyrazol-4-yl)methanone
CID 80602225
(1-hydroxy-4-methylcyclohexyl)-(1-propylpyrazol-4-yl)methanone
CID 103450707
1-ethyl-N-propan-2-ylpyrazole-4-carboxamide
CID 19281043
(3,5-dimethyl-1-adamantyl)-(1-ethylpyrazol-4-yl)methanone
CID 79994662

Frequently Asked Questions

What is the IUPAC name of (1-ethylpyrazol-4-yl)-(1-methoxy-3-methylcyclohexyl)methanone?
The IUPAC name of (1-ethylpyrazol-4-yl)-(1-methoxy-3-methylcyclohexyl)methanone (CID 116749640) is (1-ethylpyrazol-4-yl)-(1-methoxy-3-methylcyclohexyl)methanone.
What is the SMILES notation for (1-ethylpyrazol-4-yl)-(1-methoxy-3-methylcyclohexyl)methanone?
The canonical SMILES for (1-ethylpyrazol-4-yl)-(1-methoxy-3-methylcyclohexyl)methanone is CCn1cc(C(=O)C2(OC)CCCC(C)C2)cn1.
What is the InChIKey of (1-ethylpyrazol-4-yl)-(1-methoxy-3-methylcyclohexyl)methanone?
The InChIKey is DCOKJXPOQPCZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-16-10-12(9-15-16)13(17)14(18-3)7-5-6-11(2)8-14/h9-11H,4-8H2,1-3H3.
What are the key properties of (1-ethylpyrazol-4-yl)-(1-methoxy-3-methylcyclohexyl)methanone?
(1-ethylpyrazol-4-yl)-(1-methoxy-3-methylcyclohexyl)methanone has a molecular weight of 250.34 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpyrazol-4-yl)-(1-methoxy-3-methylcyclohexyl)methanone is sourced from PubChem (CID 116749640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).