methyl 5-amino-1-(2-ethylphenyl)pyrazole-4-carboxylate

C13H15N3O2 — CID 82365421

IUPACmethyl 5-amino-1-(2-ethylphenyl)pyrazole-4-carboxylate
SMILESCCc1ccccc1-n1ncc(C(=O)OC)c1N
InChIInChI=1S/C13H15N3O2/c1-3-9-6-4-5-7-11(9)16-12(14)10(8-15-16)13(17)18-2/h4-8H,3,14H2,1-2H3
InChIKeyAXSJIOFSXRVOPU-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.80
Rot. Bonds3

About methyl 5-amino-1-(2-ethylphenyl)pyrazole-4-carboxylate

methyl 5-amino-1-(2-ethylphenyl)pyrazole-4-carboxylate (PubChem CID 82365421) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is methyl 5-amino-1-(2-ethylphenyl)pyrazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-1-(2-ethylphenyl)pyrazole-4-carboxylate
PubChem CID82365421
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Namemethyl 5-amino-1-(2-ethylphenyl)pyrazole-4-carboxylate
SMILESCCc1ccccc1-n1ncc(C(=O)OC)c1N
InChIInChI=1S/C13H15N3O2/c1-3-9-6-4-5-7-11(9)16-12(14)10(8-15-16)13(17)18-2/h4-8H,3,14H2,1-2H3
InChIKeyAXSJIOFSXRVOPU-UHFFFAOYSA-N
XLogP1.80
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-1-(2-methoxycarbonylphenyl)pyrazole-4-carboxylic acid
CID 82365357
ethyl 5-amino-1-(2-chlorophenyl)pyrazole-4-carboxylate
CID 3376846
2-(5-amino-4-ethoxycarbonylpyrazol-1-yl)benzoate
CID 3376847
methyl 5-amino-1-(2,4-difluorophenyl)pyrazole-4-carboxylate
CID 75357925
5-ethyl-1-(2-methoxycarbonylphenyl)pyrazole-4-carboxylic acid
CID 82361151
methyl 5-amino-1-(5-chloro-2-hydroxyphenyl)pyrazole-4-carboxylate
CID 82365471
methyl 5-amino-1-[4-[benzyl(ethyl)carbamoyl]phenyl]pyrazole-4-carboxylate
CID 46363473
methyl 5-amino-1-[4-(2,3-dihydroindole-1-carbonyl)phenyl]pyrazole-4-carboxylate
CID 46363467
methyl 5-amino-1-[4-(4-phenylbutan-2-ylcarbamoyl)phenyl]pyrazole-4-carboxylate
CID 46363542
ethyl 5-amino-1-[4-[(2-methoxycarbonylphenyl)carbamoyl]phenyl]pyrazole-4-carboxylate
CID 46363359
methyl 2-amino-5-(2-ethylphenyl)pyridine-4-carboxylate
CID 172649580
methyl 2-(4-aminopyrazol-1-yl)benzoate
CID 131512401

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-1-(2-ethylphenyl)pyrazole-4-carboxylate?
The IUPAC name of methyl 5-amino-1-(2-ethylphenyl)pyrazole-4-carboxylate (CID 82365421) is methyl 5-amino-1-(2-ethylphenyl)pyrazole-4-carboxylate.
What is the SMILES notation for methyl 5-amino-1-(2-ethylphenyl)pyrazole-4-carboxylate?
The canonical SMILES for methyl 5-amino-1-(2-ethylphenyl)pyrazole-4-carboxylate is CCc1ccccc1-n1ncc(C(=O)OC)c1N.
What is the InChIKey of methyl 5-amino-1-(2-ethylphenyl)pyrazole-4-carboxylate?
The InChIKey is AXSJIOFSXRVOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-3-9-6-4-5-7-11(9)16-12(14)10(8-15-16)13(17)18-2/h4-8H,3,14H2,1-2H3.
What are the key properties of methyl 5-amino-1-(2-ethylphenyl)pyrazole-4-carboxylate?
methyl 5-amino-1-(2-ethylphenyl)pyrazole-4-carboxylate has a molecular weight of 245.28 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-1-(2-ethylphenyl)pyrazole-4-carboxylate is sourced from PubChem (CID 82365421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).