ethyl 5-cyclopropyl-1-(2,3-dimethoxyphenyl)pyrazole-4-carboxylate

C17H20N2O4 — CID 22268010

IUPACethyl 5-cyclopropyl-1-(2,3-dimethoxyphenyl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2cccc(OC)c2OC)c1C1CC1
InChIInChI=1S/C17H20N2O4/c1-4-23-17(20)12-10-18-19(15(12)11-8-9-11)13-6-5-7-14(21-2)16(13)22-3/h5-7,10-11H,4,8-9H2,1-3H3
InChIKeyLZJCDXCXWYHQDE-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.94
Rot. Bonds6

About ethyl 5-cyclopropyl-1-(2,3-dimethoxyphenyl)pyrazole-4-carboxylate

ethyl 5-cyclopropyl-1-(2,3-dimethoxyphenyl)pyrazole-4-carboxylate (PubChem CID 22268010) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is ethyl 5-cyclopropyl-1-(2,3-dimethoxyphenyl)pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-cyclopropyl-1-(2,3-dimethoxyphenyl)pyrazole-4-carboxylate
PubChem CID22268010
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Nameethyl 5-cyclopropyl-1-(2,3-dimethoxyphenyl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2cccc(OC)c2OC)c1C1CC1
InChIInChI=1S/C17H20N2O4/c1-4-23-17(20)12-10-18-19(15(12)11-8-9-11)13-6-5-7-14(21-2)16(13)22-3/h5-7,10-11H,4,8-9H2,1-3H3
InChIKeyLZJCDXCXWYHQDE-UHFFFAOYSA-N
XLogP2.94
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-cyclopropyl-1-(4-methoxyphenyl)pyrazole-4-carboxylate
CID 63235121
ethyl 1-(2-chloro-5-methoxyphenyl)-5-cyclopropylpyrazole-4-carboxylate
CID 22267642
ethyl 5-cyclopropyl-1-(4-fluorophenyl)pyrazole-4-carboxylate
CID 63234939
ethyl 5-cyclopropyl-1-(4-methylphenyl)pyrazole-4-carboxylate
CID 63235023
ethyl 5-cyclopropyl-1-[6-(trifluoromethyl)quinolin-7-yl]pyrazole-4-carboxylate
CID 22268014
ethyl 1-[2-chloro-4-(dimethylsulfamoyl)phenyl]-5-cyclopropylpyrazole-4-carboxylate
CID 22267580
ethyl 5-cyclopropyl-1-[(3-methylphenyl)methyl]pyrazole-4-carboxylate
CID 63274986
ethyl 5-cyclopropyl-1-[3-[3-(6,6-dimethyl-4,5-dihydrocyclopenta[d]pyrazol-1-yl)phenyl]phenyl]pyrazole-4-carboxylate
CID 126754558
ethyl 2-ethoxy-3-methoxybenzoate
CID 82186199
ethyl 3,4-dimethoxy-2-methylbenzoate
CID 23043983
ethyl 1-naphthalen-1-yl-5-(trifluoromethyl)pyrazole-4-carboxylate
CID 134610378
ethyl (4R)-4-(2,3-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 818245

Frequently Asked Questions

What is the IUPAC name of ethyl 5-cyclopropyl-1-(2,3-dimethoxyphenyl)pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-cyclopropyl-1-(2,3-dimethoxyphenyl)pyrazole-4-carboxylate (CID 22268010) is ethyl 5-cyclopropyl-1-(2,3-dimethoxyphenyl)pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-cyclopropyl-1-(2,3-dimethoxyphenyl)pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-cyclopropyl-1-(2,3-dimethoxyphenyl)pyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2cccc(OC)c2OC)c1C1CC1.
What is the InChIKey of ethyl 5-cyclopropyl-1-(2,3-dimethoxyphenyl)pyrazole-4-carboxylate?
The InChIKey is LZJCDXCXWYHQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-4-23-17(20)12-10-18-19(15(12)11-8-9-11)13-6-5-7-14(21-2)16(13)22-3/h5-7,10-11H,4,8-9H2,1-3H3.
What are the key properties of ethyl 5-cyclopropyl-1-(2,3-dimethoxyphenyl)pyrazole-4-carboxylate?
ethyl 5-cyclopropyl-1-(2,3-dimethoxyphenyl)pyrazole-4-carboxylate has a molecular weight of 316.36 g/mol, XLogP of 2.94, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-cyclopropyl-1-(2,3-dimethoxyphenyl)pyrazole-4-carboxylate is sourced from PubChem (CID 22268010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).