cyclohexyl 1-(4-methoxyphenyl)pyrazole-4-carboxylate

C17H20N2O3 — CID 135064706

IUPACcyclohexyl 1-(4-methoxyphenyl)pyrazole-4-carboxylate
SMILESCOc1ccc(-n2cc(C(=O)OC3CCCCC3)cn2)cc1
InChIInChI=1S/C17H20N2O3/c1-21-15-9-7-14(8-10-15)19-12-13(11-18-19)17(20)22-16-5-3-2-4-6-16/h7-12,16H,2-6H2,1H3
InChIKeyYBNKHCFLYYUAEK-UHFFFAOYSA-N
MW300.36 g/mol
LogP3.37
Rot. Bonds4

About cyclohexyl 1-(4-methoxyphenyl)pyrazole-4-carboxylate

cyclohexyl 1-(4-methoxyphenyl)pyrazole-4-carboxylate (PubChem CID 135064706) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is cyclohexyl 1-(4-methoxyphenyl)pyrazole-4-carboxylate.

Molecular Properties

Compound Namecyclohexyl 1-(4-methoxyphenyl)pyrazole-4-carboxylate
PubChem CID135064706
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Namecyclohexyl 1-(4-methoxyphenyl)pyrazole-4-carboxylate
SMILESCOc1ccc(-n2cc(C(=O)OC3CCCCC3)cn2)cc1
InChIInChI=1S/C17H20N2O3/c1-21-15-9-7-14(8-10-15)19-12-13(11-18-19)17(20)22-16-5-3-2-4-6-16/h7-12,16H,2-6H2,1H3
InChIKeyYBNKHCFLYYUAEK-UHFFFAOYSA-N
XLogP3.37
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

cyclooctyl 1-methylpyrazole-4-carboxylate
CID 78840160
ethyl 1-(3-cyclopentyloxy-4-methoxyphenyl)pyrazole-4-carboxylate
CID 67586843
[4-[1-(4-bromophenyl)pyrazole-4-carbonyl]piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 55774534
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-1-(4-nitrophenyl)pyrazole-4-carboxamide
CID 55699690
(2-methoxyphenyl) 1-phenylpyrazole-4-carboxylate
CID 46546914
cyclohexyl 4-[[2-(4-methoxyphenoxy)acetyl]amino]benzoate
CID 17128736
cyclohexyl 6-methoxyquinoline-2-carboxylate
CID 24585683
N-(2,4-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazole-4-carboxamide
CID 50772604
cyclohexyl 3-amino-5-methoxybenzoate
CID 81092610
1-(4-bromophenyl)-N-[(Z)-(4-methoxyphenyl)methylideneamino]pyrazole-4-carboxamide
CID 11689834
cyclohexyl 2-[1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetate
CID 1445471
cyclohexyl 4-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]benzoate
CID 17128702

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 1-(4-methoxyphenyl)pyrazole-4-carboxylate?
The IUPAC name of cyclohexyl 1-(4-methoxyphenyl)pyrazole-4-carboxylate (CID 135064706) is cyclohexyl 1-(4-methoxyphenyl)pyrazole-4-carboxylate.
What is the SMILES notation for cyclohexyl 1-(4-methoxyphenyl)pyrazole-4-carboxylate?
The canonical SMILES for cyclohexyl 1-(4-methoxyphenyl)pyrazole-4-carboxylate is COc1ccc(-n2cc(C(=O)OC3CCCCC3)cn2)cc1.
What is the InChIKey of cyclohexyl 1-(4-methoxyphenyl)pyrazole-4-carboxylate?
The InChIKey is YBNKHCFLYYUAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-21-15-9-7-14(8-10-15)19-12-13(11-18-19)17(20)22-16-5-3-2-4-6-16/h7-12,16H,2-6H2,1H3.
What are the key properties of cyclohexyl 1-(4-methoxyphenyl)pyrazole-4-carboxylate?
cyclohexyl 1-(4-methoxyphenyl)pyrazole-4-carboxylate has a molecular weight of 300.36 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 1-(4-methoxyphenyl)pyrazole-4-carboxylate is sourced from PubChem (CID 135064706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).