ethyl 5-amino-3-cyclobutyl-1-(2-methoxyphenyl)pyrazole-4-carboxylate

C17H21N3O3 — CID 22309705

IUPACethyl 5-amino-3-cyclobutyl-1-(2-methoxyphenyl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1c(C2CCC2)nn(-c2ccccc2OC)c1N
InChIInChI=1S/C17H21N3O3/c1-3-23-17(21)14-15(11-7-6-8-11)19-20(16(14)18)12-9-4-5-10-13(12)22-2/h4-5,9-11H,3,6-8,18H2,1-2H3
InChIKeyRFQRPXCNNXSMBD-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.91
Rot. Bonds5

About ethyl 5-amino-3-cyclobutyl-1-(2-methoxyphenyl)pyrazole-4-carboxylate

ethyl 5-amino-3-cyclobutyl-1-(2-methoxyphenyl)pyrazole-4-carboxylate (PubChem CID 22309705) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is ethyl 5-amino-3-cyclobutyl-1-(2-methoxyphenyl)pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-3-cyclobutyl-1-(2-methoxyphenyl)pyrazole-4-carboxylate
PubChem CID22309705
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Nameethyl 5-amino-3-cyclobutyl-1-(2-methoxyphenyl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1c(C2CCC2)nn(-c2ccccc2OC)c1N
InChIInChI=1S/C17H21N3O3/c1-3-23-17(21)14-15(11-7-6-8-11)19-20(16(14)18)12-9-4-5-10-13(12)22-2/h4-5,9-11H,3,6-8,18H2,1-2H3
InChIKeyRFQRPXCNNXSMBD-UHFFFAOYSA-N
XLogP2.91
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-amino-3-cyclopentyl-1-(4-fluorophenyl)pyrazole-4-carboxylate
CID 22309747
ethyl 5-amino-1-(3-chloro-4-fluorophenyl)-3-cyclobutylpyrazole-4-carboxylate
CID 22309711
ethyl 2-(2-methoxyphenyl)-4,5-dimethylpyrazole-3-carboxylate
CID 139229097
ethyl 5,5-dihydroxy-1-(2-methoxyphenyl)-4H-thiochromeno[3,4-d]pyrazole-3-carboxylate
CID 123654708
benzyl 3-cyclohexyl-5-methyl-1-phenylpyrazole-4-carboxylate
CID 134951291
ethyl 5-imino-2-(2-methoxyphenyl)thiadiazole-4-carboxylate
CID 1499221
4-iodo-1-(2-methoxyphenyl)-3-methylpyrazol-5-amine
CID 63035065
ethyl 5-cyclopropyl-1-(2,3-dimethoxyphenyl)pyrazole-4-carboxylate
CID 22268010
5-cyclobutyl-1-(2-ethoxyphenyl)triazole-4-carboxylic acid
CID 82201408
ethyl 4-amino-2-cyclopropylquinoline-3-carboxylate
CID 174944761
ethyl 2-cyclobutylbenzoate
CID 106942755
3-cyclohexyl-1-(2-ethoxyphenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
CID 4017946

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-3-cyclobutyl-1-(2-methoxyphenyl)pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-amino-3-cyclobutyl-1-(2-methoxyphenyl)pyrazole-4-carboxylate (CID 22309705) is ethyl 5-amino-3-cyclobutyl-1-(2-methoxyphenyl)pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-amino-3-cyclobutyl-1-(2-methoxyphenyl)pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-amino-3-cyclobutyl-1-(2-methoxyphenyl)pyrazole-4-carboxylate is CCOC(=O)c1c(C2CCC2)nn(-c2ccccc2OC)c1N.
What is the InChIKey of ethyl 5-amino-3-cyclobutyl-1-(2-methoxyphenyl)pyrazole-4-carboxylate?
The InChIKey is RFQRPXCNNXSMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-3-23-17(21)14-15(11-7-6-8-11)19-20(16(14)18)12-9-4-5-10-13(12)22-2/h4-5,9-11H,3,6-8,18H2,1-2H3.
What are the key properties of ethyl 5-amino-3-cyclobutyl-1-(2-methoxyphenyl)pyrazole-4-carboxylate?
ethyl 5-amino-3-cyclobutyl-1-(2-methoxyphenyl)pyrazole-4-carboxylate has a molecular weight of 315.37 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-3-cyclobutyl-1-(2-methoxyphenyl)pyrazole-4-carboxylate is sourced from PubChem (CID 22309705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).