1-(5-methyl-2-phenylpyrazol-3-yl)oxyethyl cyclohexanecarboxylate

C19H24N2O3 — CID 166035459

IUPAC1-(5-methyl-2-phenylpyrazol-3-yl)oxyethyl cyclohexanecarboxylate
SMILESCc1cc(OC(C)OC(=O)C2CCCCC2)n(-c2ccccc2)n1
InChIInChI=1S/C19H24N2O3/c1-14-13-18(21(20-14)17-11-7-4-8-12-17)23-15(2)24-19(22)16-9-5-3-6-10-16/h4,7-8,11-13,15-16H,3,5-6,9-10H2,1-2H3
InChIKeyFVQKMEXOZGOCPY-UHFFFAOYSA-N
MW328.41 g/mol
LogP4.03
Rot. Bonds5

About 1-(5-methyl-2-phenylpyrazol-3-yl)oxyethyl cyclohexanecarboxylate

1-(5-methyl-2-phenylpyrazol-3-yl)oxyethyl cyclohexanecarboxylate (PubChem CID 166035459) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 1-(5-methyl-2-phenylpyrazol-3-yl)oxyethyl cyclohexanecarboxylate.

Molecular Properties

Compound Name1-(5-methyl-2-phenylpyrazol-3-yl)oxyethyl cyclohexanecarboxylate
PubChem CID166035459
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name1-(5-methyl-2-phenylpyrazol-3-yl)oxyethyl cyclohexanecarboxylate
SMILESCc1cc(OC(C)OC(=O)C2CCCCC2)n(-c2ccccc2)n1
InChIInChI=1S/C19H24N2O3/c1-14-13-18(21(20-14)17-11-7-4-8-12-17)23-15(2)24-19(22)16-9-5-3-6-10-16/h4,7-8,11-13,15-16H,3,5-6,9-10H2,1-2H3
InChIKeyFVQKMEXOZGOCPY-UHFFFAOYSA-N
XLogP4.03
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-cyclohexyl-N-(5-methyl-2-phenylpyrazol-3-yl)oxypropanamide
CID 150598123
[3-[[4-[5-(cyclopentanecarbonyloxymethoxy)-3-methylpyrazol-1-yl]phenyl]methyl]-1-phenylpyrazol-5-yl]oxymethyl cyclohexanecarboxylate
CID 146422853
N-[(5-methyl-2-phenylpyrazol-3-yl)oxymethyl]cyclohexanecarboxamide
CID 146422801
(5-methyl-2-phenylpyrazol-3-yl) 2-methylpropanoate
CID 155801750
(5-methyl-2-phenylpyrazol-3-yl) hydrogen carbonate
CID 175140326
(5-methyl-2-phenylpyrazol-3-yl) N,N-diphenylcarbamate
CID 155801902
[3-methyl-4-(4-methylphenyl)sulfonyl-1-phenylpyrazol-5-yl] cyclohexanecarboxylate
CID 4181816
(5-methyl-2-phenylpyrazol-3-yl) heptanoate
CID 155801802
benzhydryl cyclohexanecarboxylate
CID 11254888
[1-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl] cyclopentanecarboxylate
CID 42728117
3-methyl-5-[(2-methylpropan-2-yl)oxy]-1-phenylpyrazole
CID 59067540
[3-methyl-4-(2,3,4,5,6-pentafluorophenyl)sulfanyl-1-phenylpyrazol-5-yl] cyclohexanecarboxylate
CID 3654203

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-2-phenylpyrazol-3-yl)oxyethyl cyclohexanecarboxylate?
The IUPAC name of 1-(5-methyl-2-phenylpyrazol-3-yl)oxyethyl cyclohexanecarboxylate (CID 166035459) is 1-(5-methyl-2-phenylpyrazol-3-yl)oxyethyl cyclohexanecarboxylate.
What is the SMILES notation for 1-(5-methyl-2-phenylpyrazol-3-yl)oxyethyl cyclohexanecarboxylate?
The canonical SMILES for 1-(5-methyl-2-phenylpyrazol-3-yl)oxyethyl cyclohexanecarboxylate is Cc1cc(OC(C)OC(=O)C2CCCCC2)n(-c2ccccc2)n1.
What is the InChIKey of 1-(5-methyl-2-phenylpyrazol-3-yl)oxyethyl cyclohexanecarboxylate?
The InChIKey is FVQKMEXOZGOCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-14-13-18(21(20-14)17-11-7-4-8-12-17)23-15(2)24-19(22)16-9-5-3-6-10-16/h4,7-8,11-13,15-16H,3,5-6,9-10H2,1-2H3.
What are the key properties of 1-(5-methyl-2-phenylpyrazol-3-yl)oxyethyl cyclohexanecarboxylate?
1-(5-methyl-2-phenylpyrazol-3-yl)oxyethyl cyclohexanecarboxylate has a molecular weight of 328.41 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-2-phenylpyrazol-3-yl)oxyethyl cyclohexanecarboxylate is sourced from PubChem (CID 166035459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).