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

C13H15N3O3 — CID 707658

IUPACethyl 3-amino-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1c(N)n[nH]c1-c1ccc(OC)cc1
InChIInChI=1S/C13H15N3O3/c1-3-19-13(17)10-11(15-16-12(10)14)8-4-6-9(18-2)7-5-8/h4-7H,3H2,1-2H3,(H3,14,15,16)
InChIKeyWPZITEXDAIWCGF-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.84
Rot. Bonds4

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

ethyl 3-amino-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxylate (PubChem CID 707658) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is ethyl 3-amino-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxylate
PubChem CID707658
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Nameethyl 3-amino-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1c(N)n[nH]c1-c1ccc(OC)cc1
InChIInChI=1S/C13H15N3O3/c1-3-19-13(17)10-11(15-16-12(10)14)8-4-6-9(18-2)7-5-8/h4-7H,3H2,1-2H3,(H3,14,15,16)
InChIKeyWPZITEXDAIWCGF-UHFFFAOYSA-N
XLogP1.84
TPSA90.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 3-amino-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 3-(4-methoxyphenyl)-1H-pyrazole-5-carboxylate
CID 589142
3-(4-methoxyphenyl)-1H-pyrazole-4-carbaldehyde
CID 737224
3-(4-Methoxyphenyl)-1H-pyrazole-4-carboxylic acid
CID 3782278
1H-Pyrazole-4-carboxylic acid, 3-amino-1-isobutyryl-5-(4-methoxyphenyl)-, ethyl ester
CID 712311
3-amino-5-(6-methoxynaphthalen-2-yl)-1H-pyrazole-4-carboxamide
CID 76324815
5-(4-ethoxyphenyl)-1H-pyrazol-3-amine
CID 2758769
3-(4-butoxyphenyl)-1H-pyrazole-4-carbaldehyde
CID 3312872
Ethyl 3-amino-5-phenyl-1H-pyrazole-4-carboxylate
CID 868536
3-(4-methoxyphenyl)-4-methyl-2H-pyrano[2,3-c]pyrazol-6-one
CID 645275
3-Pyrazolecarboxylic acid, 4-amino-5-(p-methoxyphenyl)-, ethyl ester
CID 13303383
benzyl 3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-1H-pyrazole-4-carboxylate
CID 25224079
15-Amino-8-oxa-13,14,18,19-tetrazatetracyclo[9.8.0.02,7.012,16]nonadeca-1(19),2,4,6,12(16),14-hexaen-17-one
CID 90675543

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxylate?
The IUPAC name of ethyl 3-amino-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxylate (CID 707658) is ethyl 3-amino-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 3-amino-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxylate?
The canonical SMILES for ethyl 3-amino-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxylate is CCOC(=O)c1c(N)n[nH]c1-c1ccc(OC)cc1.
What is the InChIKey of ethyl 3-amino-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxylate?
The InChIKey is WPZITEXDAIWCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-3-19-13(17)10-11(15-16-12(10)14)8-4-6-9(18-2)7-5-8/h4-7H,3H2,1-2H3,(H3,14,15,16).
What are the key properties of ethyl 3-amino-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxylate?
ethyl 3-amino-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxylate has a molecular weight of 261.28 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxylate is sourced from PubChem (CID 707658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).