ethyl 1-(2-chloro-5-methoxyphenyl)-5-cyclopropylpyrazole-4-carboxylate

C16H17ClN2O3 — CID 22267642

IUPACethyl 1-(2-chloro-5-methoxyphenyl)-5-cyclopropylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2cc(OC)ccc2Cl)c1C1CC1
InChIInChI=1S/C16H17ClN2O3/c1-3-22-16(20)12-9-18-19(15(12)10-4-5-10)14-8-11(21-2)6-7-13(14)17/h6-10H,3-5H2,1-2H3
InChIKeyFRWZIXWJXLKSSS-UHFFFAOYSA-N
MW320.78 g/mol
LogP3.59
Rot. Bonds5

About ethyl 1-(2-chloro-5-methoxyphenyl)-5-cyclopropylpyrazole-4-carboxylate

ethyl 1-(2-chloro-5-methoxyphenyl)-5-cyclopropylpyrazole-4-carboxylate (PubChem CID 22267642) has the molecular formula C16H17ClN2O3 and a molecular weight of 320.78 g/mol. Its IUPAC name is ethyl 1-(2-chloro-5-methoxyphenyl)-5-cyclopropylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-chloro-5-methoxyphenyl)-5-cyclopropylpyrazole-4-carboxylate
PubChem CID22267642
Molecular FormulaC16H17ClN2O3
Molecular Weight320.78 g/mol
Exact Mass320.09
IUPAC Nameethyl 1-(2-chloro-5-methoxyphenyl)-5-cyclopropylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2cc(OC)ccc2Cl)c1C1CC1
InChIInChI=1S/C16H17ClN2O3/c1-3-22-16(20)12-9-18-19(15(12)10-4-5-10)14-8-11(21-2)6-7-13(14)17/h6-10H,3-5H2,1-2H3
InChIKeyFRWZIXWJXLKSSS-UHFFFAOYSA-N
XLogP3.59
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-cyclopropyl-1-(4-methoxyphenyl)pyrazole-4-carboxylate
CID 63235121
ethyl 5-cyclopropyl-1-(2,3-dimethoxyphenyl)pyrazole-4-carboxylate
CID 22268010
ethyl 1-[2-chloro-4-(dimethylsulfamoyl)phenyl]-5-cyclopropylpyrazole-4-carboxylate
CID 22267580
ethyl 5-cyclopropyl-1-(4-methylphenyl)pyrazole-4-carboxylate
CID 63235023
ethyl 5-cyclopropyl-1-(4-fluorophenyl)pyrazole-4-carboxylate
CID 63234939
ethyl N-[2-[[5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]amino]ethyl]carbamate
CID 56558481
ethyl 5-cyclopropyl-1-[6-(trifluoromethyl)quinolin-7-yl]pyrazole-4-carboxylate
CID 22268014
5-cyclopropyl-1-(4-methoxyphenyl)pyrazole-4-carboxylic acid
CID 63173747
5-cyclopropyl-1-(2,4-dichlorophenyl)-N-[2-(3-methoxyphenoxy)ethyl]pyrazole-4-carboxamide
CID 55609258
ethyl 1-[(4-bromophenyl)methyl]-5-cyclopropylpyrazole-4-carboxylate
CID 63276371
ethyl 5-amino-1-(2-chlorophenyl)pyrazole-4-carboxylate
CID 3376846
ethyl 5-cyclopropyl-1-[(3-methylphenyl)methyl]pyrazole-4-carboxylate
CID 63274986

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-chloro-5-methoxyphenyl)-5-cyclopropylpyrazole-4-carboxylate?
The IUPAC name of ethyl 1-(2-chloro-5-methoxyphenyl)-5-cyclopropylpyrazole-4-carboxylate (CID 22267642) is ethyl 1-(2-chloro-5-methoxyphenyl)-5-cyclopropylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-(2-chloro-5-methoxyphenyl)-5-cyclopropylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-(2-chloro-5-methoxyphenyl)-5-cyclopropylpyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2cc(OC)ccc2Cl)c1C1CC1.
What is the InChIKey of ethyl 1-(2-chloro-5-methoxyphenyl)-5-cyclopropylpyrazole-4-carboxylate?
The InChIKey is FRWZIXWJXLKSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3/c1-3-22-16(20)12-9-18-19(15(12)10-4-5-10)14-8-11(21-2)6-7-13(14)17/h6-10H,3-5H2,1-2H3.
What are the key properties of ethyl 1-(2-chloro-5-methoxyphenyl)-5-cyclopropylpyrazole-4-carboxylate?
ethyl 1-(2-chloro-5-methoxyphenyl)-5-cyclopropylpyrazole-4-carboxylate has a molecular weight of 320.78 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-chloro-5-methoxyphenyl)-5-cyclopropylpyrazole-4-carboxylate is sourced from PubChem (CID 22267642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).