ethyl 5-propan-2-yl-1-(4-propan-2-ylphenyl)pyrazole-3-carboxylate

C18H24N2O2 — CID 22831913

IUPACethyl 5-propan-2-yl-1-(4-propan-2-ylphenyl)pyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(C(C)C)n(-c2ccc(C(C)C)cc2)n1
InChIInChI=1S/C18H24N2O2/c1-6-22-18(21)16-11-17(13(4)5)20(19-16)15-9-7-14(8-10-15)12(2)3/h7-13H,6H2,1-5H3
InChIKeyPBODENTUZSWQAM-UHFFFAOYSA-N
MW300.40 g/mol
LogP4.30
Rot. Bonds5

About ethyl 5-propan-2-yl-1-(4-propan-2-ylphenyl)pyrazole-3-carboxylate

ethyl 5-propan-2-yl-1-(4-propan-2-ylphenyl)pyrazole-3-carboxylate (PubChem CID 22831913) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is ethyl 5-propan-2-yl-1-(4-propan-2-ylphenyl)pyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-propan-2-yl-1-(4-propan-2-ylphenyl)pyrazole-3-carboxylate
PubChem CID22831913
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Nameethyl 5-propan-2-yl-1-(4-propan-2-ylphenyl)pyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(C(C)C)n(-c2ccc(C(C)C)cc2)n1
InChIInChI=1S/C18H24N2O2/c1-6-22-18(21)16-11-17(13(4)5)20(19-16)15-9-7-14(8-10-15)12(2)3/h7-13H,6H2,1-5H3
InChIKeyPBODENTUZSWQAM-UHFFFAOYSA-N
XLogP4.30
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-(4-propan-2-ylphenyl)pyrazole-3-carboxylate
CID 154455563
ethyl 5-butan-2-yl-1-[4-(dipropylcarbamoyl)phenyl]pyrazole-3-carboxylate
CID 46082487
ethyl 5-chloro-1-(4-chlorophenyl)pyrazole-3-carboxylate
CID 139926661
ethyl 5-methyl-1-phenylpyrazole-3-carboxylate
CID 10900438
1-(4-methylphenyl)-5-propan-2-ylpyrazole-3-carboxylic acid
CID 22831933
ethyl 5-amino-1-phenylpyrazole-3-carboxylate
CID 23630921
4-(5-amino-3-ethoxycarbonylpyrazol-1-yl)benzoic acid
CID 59001333
ethyl 5-fluoro-1-(4-fluorophenyl)pyrazole-3-carboxylate
CID 53429376
ethyl 5-butan-2-yl-1-[4-(3,3-diphenylpropylcarbamoyl)phenyl]pyrazole-3-carboxylate
CID 46082780
ethyl 1-(4-cyanophenyl)-5-methylpyrazole-3-carboxylate
CID 129139557
ethyl 7-propan-2-ylpyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 103200564
ethyl 1-(4-fluorophenyl)-5-phenylpyrazole-3-carboxylate
CID 11370315

Frequently Asked Questions

What is the IUPAC name of ethyl 5-propan-2-yl-1-(4-propan-2-ylphenyl)pyrazole-3-carboxylate?
The IUPAC name of ethyl 5-propan-2-yl-1-(4-propan-2-ylphenyl)pyrazole-3-carboxylate (CID 22831913) is ethyl 5-propan-2-yl-1-(4-propan-2-ylphenyl)pyrazole-3-carboxylate.
What is the SMILES notation for ethyl 5-propan-2-yl-1-(4-propan-2-ylphenyl)pyrazole-3-carboxylate?
The canonical SMILES for ethyl 5-propan-2-yl-1-(4-propan-2-ylphenyl)pyrazole-3-carboxylate is CCOC(=O)c1cc(C(C)C)n(-c2ccc(C(C)C)cc2)n1.
What is the InChIKey of ethyl 5-propan-2-yl-1-(4-propan-2-ylphenyl)pyrazole-3-carboxylate?
The InChIKey is PBODENTUZSWQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-6-22-18(21)16-11-17(13(4)5)20(19-16)15-9-7-14(8-10-15)12(2)3/h7-13H,6H2,1-5H3.
What are the key properties of ethyl 5-propan-2-yl-1-(4-propan-2-ylphenyl)pyrazole-3-carboxylate?
ethyl 5-propan-2-yl-1-(4-propan-2-ylphenyl)pyrazole-3-carboxylate has a molecular weight of 300.40 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-propan-2-yl-1-(4-propan-2-ylphenyl)pyrazole-3-carboxylate is sourced from PubChem (CID 22831913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).