ethyl 5-amino-1-(3-methylphenyl)pyrazole-3-carboxylate

C13H15N3O2 — CID 75357933

IUPACethyl 5-amino-1-(3-methylphenyl)pyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(N)n(-c2cccc(C)c2)n1
InChIInChI=1S/C13H15N3O2/c1-3-18-13(17)11-8-12(14)16(15-11)10-6-4-5-9(2)7-10/h4-8H,3,14H2,1-2H3
InChIKeyWFJOISICWQOOLW-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.94
Rot. Bonds3

About ethyl 5-amino-1-(3-methylphenyl)pyrazole-3-carboxylate

ethyl 5-amino-1-(3-methylphenyl)pyrazole-3-carboxylate (PubChem CID 75357933) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is ethyl 5-amino-1-(3-methylphenyl)pyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-1-(3-methylphenyl)pyrazole-3-carboxylate
PubChem CID75357933
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Nameethyl 5-amino-1-(3-methylphenyl)pyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(N)n(-c2cccc(C)c2)n1
InChIInChI=1S/C13H15N3O2/c1-3-18-13(17)11-8-12(14)16(15-11)10-6-4-5-9(2)7-10/h4-8H,3,14H2,1-2H3
InChIKeyWFJOISICWQOOLW-UHFFFAOYSA-N
XLogP1.94
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 ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-amino-1-phenylpyrazole-3-carboxylate
CID 23630921
4-(5-amino-3-ethoxycarbonylpyrazol-1-yl)benzoic acid
CID 59001333
[5-amino-1-(3-methylphenyl)pyrazol-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 82188845
ethyl 5-methyl-1-phenylpyrazole-3-carboxylate
CID 10900438
3-(3-ethoxycarbonyl-5-methylpyrazol-1-yl)benzoic acid
CID 135330912
ethyl 5-(acetyloxymethyl)-1-phenylpyrazole-3-carboxylate
CID 170872121
ethyl 5-chloro-1-(3-methylphenyl)pyrazole-4-carboxylate
CID 21289675
ethyl 5-[3-(furan-2-carbonylamino)phenyl]-1-(3-methylphenyl)pyrazole-3-carboxylate
CID 46094071
ethyl 5-[3-[(2-cyclopentylacetyl)amino]phenyl]-1-(3-methylphenyl)pyrazole-3-carboxylate
CID 46094150
methyl 5-amino-1-(3-methylphenyl)triazole-4-carboxylate
CID 4912897
ethyl 5-[3-[(3,4-dimethoxybenzoyl)amino]phenyl]-1-(3-methylphenyl)pyrazole-3-carboxylate
CID 46094009
5-methyl-1-(3-methylphenyl)pyrazole-3-carboxylic acid
CID 22831928

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-1-(3-methylphenyl)pyrazole-3-carboxylate?
The IUPAC name of ethyl 5-amino-1-(3-methylphenyl)pyrazole-3-carboxylate (CID 75357933) is ethyl 5-amino-1-(3-methylphenyl)pyrazole-3-carboxylate.
What is the SMILES notation for ethyl 5-amino-1-(3-methylphenyl)pyrazole-3-carboxylate?
The canonical SMILES for ethyl 5-amino-1-(3-methylphenyl)pyrazole-3-carboxylate is CCOC(=O)c1cc(N)n(-c2cccc(C)c2)n1.
What is the InChIKey of ethyl 5-amino-1-(3-methylphenyl)pyrazole-3-carboxylate?
The InChIKey is WFJOISICWQOOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-3-18-13(17)11-8-12(14)16(15-11)10-6-4-5-9(2)7-10/h4-8H,3,14H2,1-2H3.
What are the key properties of ethyl 5-amino-1-(3-methylphenyl)pyrazole-3-carboxylate?
ethyl 5-amino-1-(3-methylphenyl)pyrazole-3-carboxylate has a molecular weight of 245.28 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-1-(3-methylphenyl)pyrazole-3-carboxylate is sourced from PubChem (CID 75357933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).