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

C14H17N3O4 — CID 82365413

IUPACethyl 5-amino-1-(3,4-dimethoxyphenyl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccc(OC)c(OC)c2)c1N
InChIInChI=1S/C14H17N3O4/c1-4-21-14(18)10-8-16-17(13(10)15)9-5-6-11(19-2)12(7-9)20-3/h5-8H,4,15H2,1-3H3
InChIKeyXSASPFSCDLOOCS-UHFFFAOYSA-N
MW291.31 g/mol
LogP1.65
Rot. Bonds5

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

ethyl 5-amino-1-(3,4-dimethoxyphenyl)pyrazole-4-carboxylate (PubChem CID 82365413) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is ethyl 5-amino-1-(3,4-dimethoxyphenyl)pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-1-(3,4-dimethoxyphenyl)pyrazole-4-carboxylate
PubChem CID82365413
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Nameethyl 5-amino-1-(3,4-dimethoxyphenyl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccc(OC)c(OC)c2)c1N
InChIInChI=1S/C14H17N3O4/c1-4-21-14(18)10-8-16-17(13(10)15)9-5-6-11(19-2)12(7-9)20-3/h5-8H,4,15H2,1-3H3
InChIKeyXSASPFSCDLOOCS-UHFFFAOYSA-N
XLogP1.65
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 5-amino-1-(4-carbamoylphenyl)pyrazole-4-carboxylate
CID 82365389
ethyl 5-amino-1-(6-methoxy-3-pyridinyl)pyrazole-4-carboxylate
CID 67053258
ethyl 5-amino-1-(4-chloro-3-fluorophenyl)pyrazole-4-carboxylate
CID 79150341
ethyl 5-amino-1-[4-[(2-methoxy-5-methylphenyl)carbamoyl]phenyl]pyrazole-4-carboxylate
CID 46363406
ethyl 5-amino-1-(3,5-difluorophenyl)pyrazole-4-carboxylate
CID 83808189
ethyl 5-amino-1-[4-(2-hydroxy-4-methylphenoxy)phenyl]pyrazole-4-carboxylate
CID 11624526
ethyl 1-[4-[[(3,4-dimethoxybenzoyl)amino]carbamoyl]phenyl]-5-methylpyrazole-4-carboxylate
CID 43070191
ethyl 5-amino-1-[4-[(5-chloro-2,4-dimethoxyphenyl)carbamoyl]phenyl]pyrazole-4-carboxylate
CID 46363346
ethyl 1-(3,4-dimethoxyphenyl)-2,5-dimethylpyrrole-3-carboxylate
CID 658482
ethyl 5-amino-1-[4-[chloro(difluoro)methoxy]phenyl]pyrazole-4-carboxylate
CID 625309
ethyl 5-amino-1-[4-(propylcarbamoyl)phenyl]pyrazole-4-carboxylate
CID 46363367
ethyl 5-amino-1-[4-[(3-methoxyphenyl)carbamoyl]phenyl]pyrazole-4-carboxylate
CID 46363338

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-1-(3,4-dimethoxyphenyl)pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-amino-1-(3,4-dimethoxyphenyl)pyrazole-4-carboxylate (CID 82365413) is ethyl 5-amino-1-(3,4-dimethoxyphenyl)pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-amino-1-(3,4-dimethoxyphenyl)pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-amino-1-(3,4-dimethoxyphenyl)pyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2ccc(OC)c(OC)c2)c1N.
What is the InChIKey of ethyl 5-amino-1-(3,4-dimethoxyphenyl)pyrazole-4-carboxylate?
The InChIKey is XSASPFSCDLOOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c1-4-21-14(18)10-8-16-17(13(10)15)9-5-6-11(19-2)12(7-9)20-3/h5-8H,4,15H2,1-3H3.
What are the key properties of ethyl 5-amino-1-(3,4-dimethoxyphenyl)pyrazole-4-carboxylate?
ethyl 5-amino-1-(3,4-dimethoxyphenyl)pyrazole-4-carboxylate has a molecular weight of 291.31 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-1-(3,4-dimethoxyphenyl)pyrazole-4-carboxylate is sourced from PubChem (CID 82365413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).