ethyl 1-(4-methylphenyl)-5-propylpyrazole-4-carboxylate

C16H20N2O2 — CID 63235066

IUPACethyl 1-(4-methylphenyl)-5-propylpyrazole-4-carboxylate
SMILESCCCc1c(C(=O)OCC)cnn1-c1ccc(C)cc1
InChIInChI=1S/C16H20N2O2/c1-4-6-15-14(16(19)20-5-2)11-17-18(15)13-9-7-12(3)8-10-13/h7-11H,4-6H2,1-3H3
InChIKeyGQUWTSUZRACDSG-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.31
Rot. Bonds5

About ethyl 1-(4-methylphenyl)-5-propylpyrazole-4-carboxylate

ethyl 1-(4-methylphenyl)-5-propylpyrazole-4-carboxylate (PubChem CID 63235066) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is ethyl 1-(4-methylphenyl)-5-propylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-methylphenyl)-5-propylpyrazole-4-carboxylate
PubChem CID63235066
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Nameethyl 1-(4-methylphenyl)-5-propylpyrazole-4-carboxylate
SMILESCCCc1c(C(=O)OCC)cnn1-c1ccc(C)cc1
InChIInChI=1S/C16H20N2O2/c1-4-6-15-14(16(19)20-5-2)11-17-18(15)13-9-7-12(3)8-10-13/h7-11H,4-6H2,1-3H3
InChIKeyGQUWTSUZRACDSG-UHFFFAOYSA-N
XLogP3.31
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-cyclopropyl-1-(4-methylphenyl)pyrazole-4-carboxylate
CID 63235023
ethyl 5-(3-oxopropyl)-1-phenylpyrazole-4-carboxylate
CID 71567359
ethyl 1-(4-hydroxyphenyl)-5-methylpyrazole-4-carboxylate
CID 86692424
ethyl 5-bromo-1-(4-bromophenyl)pyrazole-4-carboxylate
CID 53429357
ethyl 5-cyclopropyl-1-(4-fluorophenyl)pyrazole-4-carboxylate
CID 63234939
ethyl 1-methyl-5-[(4-methylphenyl)sulfinylmethyl]pyrazole-4-carboxylate
CID 116632493
ethyl 1-[(4-chlorophenyl)methyl]-5-propylpyrazole-4-carboxylate
CID 63278765
ethyl 1-methyl-5-[(4-methylanilino)methyl]pyrazole-4-carboxylate
CID 116630695
ethyl 5-cyclopropyl-1-(4-methoxyphenyl)pyrazole-4-carboxylate
CID 63235121
ethyl 5-amino-1-(4-carbamoylphenyl)pyrazole-4-carboxylate
CID 82365389
1-(3,4-dimethylphenyl)-5-propylpyrazole-4-carboxylic acid
CID 82361185
ethyl 5-chloro-1-(4-fluorophenyl)pyrazole-4-carboxylate
CID 22228090

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-methylphenyl)-5-propylpyrazole-4-carboxylate?
The IUPAC name of ethyl 1-(4-methylphenyl)-5-propylpyrazole-4-carboxylate (CID 63235066) is ethyl 1-(4-methylphenyl)-5-propylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-(4-methylphenyl)-5-propylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-(4-methylphenyl)-5-propylpyrazole-4-carboxylate is CCCc1c(C(=O)OCC)cnn1-c1ccc(C)cc1.
What is the InChIKey of ethyl 1-(4-methylphenyl)-5-propylpyrazole-4-carboxylate?
The InChIKey is GQUWTSUZRACDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-4-6-15-14(16(19)20-5-2)11-17-18(15)13-9-7-12(3)8-10-13/h7-11H,4-6H2,1-3H3.
What are the key properties of ethyl 1-(4-methylphenyl)-5-propylpyrazole-4-carboxylate?
ethyl 1-(4-methylphenyl)-5-propylpyrazole-4-carboxylate has a molecular weight of 272.35 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-methylphenyl)-5-propylpyrazole-4-carboxylate is sourced from PubChem (CID 63235066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).