ethyl 4-amino-3-(2-methylphenyl)-1H-pyrazole-5-carboxylate

C13H15N3O2 — CID 13303392

IUPACethyl 4-amino-3-(2-methylphenyl)-1H-pyrazole-5-carboxylate
SMILESCCOC(=O)c1[nH]nc(-c2ccccc2C)c1N
InChIInChI=1S/C13H15N3O2/c1-3-18-13(17)12-10(14)11(15-16-12)9-7-5-4-6-8(9)2/h4-7H,3,14H2,1-2H3,(H,15,16)
InChIKeyKPFHYILVRGPHJI-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.14
Rot. Bonds3

About ethyl 4-amino-3-(2-methylphenyl)-1H-pyrazole-5-carboxylate

ethyl 4-amino-3-(2-methylphenyl)-1H-pyrazole-5-carboxylate (PubChem CID 13303392) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is ethyl 4-amino-3-(2-methylphenyl)-1H-pyrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-3-(2-methylphenyl)-1H-pyrazole-5-carboxylate
PubChem CID13303392
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Nameethyl 4-amino-3-(2-methylphenyl)-1H-pyrazole-5-carboxylate
SMILESCCOC(=O)c1[nH]nc(-c2ccccc2C)c1N
InChIInChI=1S/C13H15N3O2/c1-3-18-13(17)12-10(14)11(15-16-12)9-7-5-4-6-8(9)2/h4-7H,3,14H2,1-2H3,(H,15,16)
InChIKeyKPFHYILVRGPHJI-UHFFFAOYSA-N
XLogP2.14
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-3-(2-methylphenyl)-1H-pyrazole-5-carboxylate?
The IUPAC name of ethyl 4-amino-3-(2-methylphenyl)-1H-pyrazole-5-carboxylate (CID 13303392) is ethyl 4-amino-3-(2-methylphenyl)-1H-pyrazole-5-carboxylate.
What is the SMILES notation for ethyl 4-amino-3-(2-methylphenyl)-1H-pyrazole-5-carboxylate?
The canonical SMILES for ethyl 4-amino-3-(2-methylphenyl)-1H-pyrazole-5-carboxylate is CCOC(=O)c1[nH]nc(-c2ccccc2C)c1N.
What is the InChIKey of ethyl 4-amino-3-(2-methylphenyl)-1H-pyrazole-5-carboxylate?
The InChIKey is KPFHYILVRGPHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-3-18-13(17)12-10(14)11(15-16-12)9-7-5-4-6-8(9)2/h4-7H,3,14H2,1-2H3,(H,15,16).
What are the key properties of ethyl 4-amino-3-(2-methylphenyl)-1H-pyrazole-5-carboxylate?
ethyl 4-amino-3-(2-methylphenyl)-1H-pyrazole-5-carboxylate has a molecular weight of 245.28 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-3-(2-methylphenyl)-1H-pyrazole-5-carboxylate is sourced from PubChem (CID 13303392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).