methyl 1-ethyl-4-[(4-methoxyphenyl)methylamino]pyrazole-3-carboxylate

C15H19N3O3 — CID 138633794

IUPACmethyl 1-ethyl-4-[(4-methoxyphenyl)methylamino]pyrazole-3-carboxylate
SMILESCCn1cc(NCc2ccc(OC)cc2)c(C(=O)OC)n1
InChIInChI=1S/C15H19N3O3/c1-4-18-10-13(14(17-18)15(19)21-3)16-9-11-5-7-12(20-2)8-6-11/h5-8,10,16H,4,9H2,1-3H3
InChIKeyBQQIJCIBOWMUNG-UHFFFAOYSA-N
MW289.34 g/mol
LogP2.31
Rot. Bonds6

About methyl 1-ethyl-4-[(4-methoxyphenyl)methylamino]pyrazole-3-carboxylate

methyl 1-ethyl-4-[(4-methoxyphenyl)methylamino]pyrazole-3-carboxylate (PubChem CID 138633794) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is methyl 1-ethyl-4-[(4-methoxyphenyl)methylamino]pyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-ethyl-4-[(4-methoxyphenyl)methylamino]pyrazole-3-carboxylate
PubChem CID138633794
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Namemethyl 1-ethyl-4-[(4-methoxyphenyl)methylamino]pyrazole-3-carboxylate
SMILESCCn1cc(NCc2ccc(OC)cc2)c(C(=O)OC)n1
InChIInChI=1S/C15H19N3O3/c1-4-18-10-13(14(17-18)15(19)21-3)16-9-11-5-7-12(20-2)8-6-11/h5-8,10,16H,4,9H2,1-3H3
InChIKeyBQQIJCIBOWMUNG-UHFFFAOYSA-N
XLogP2.31
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 1-ethyl-4-[(4-methoxyphenyl)methylamino]pyrazole-3-carboxylate?
The IUPAC name of methyl 1-ethyl-4-[(4-methoxyphenyl)methylamino]pyrazole-3-carboxylate (CID 138633794) is methyl 1-ethyl-4-[(4-methoxyphenyl)methylamino]pyrazole-3-carboxylate.
What is the SMILES notation for methyl 1-ethyl-4-[(4-methoxyphenyl)methylamino]pyrazole-3-carboxylate?
The canonical SMILES for methyl 1-ethyl-4-[(4-methoxyphenyl)methylamino]pyrazole-3-carboxylate is CCn1cc(NCc2ccc(OC)cc2)c(C(=O)OC)n1.
What is the InChIKey of methyl 1-ethyl-4-[(4-methoxyphenyl)methylamino]pyrazole-3-carboxylate?
The InChIKey is BQQIJCIBOWMUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-4-18-10-13(14(17-18)15(19)21-3)16-9-11-5-7-12(20-2)8-6-11/h5-8,10,16H,4,9H2,1-3H3.
What are the key properties of methyl 1-ethyl-4-[(4-methoxyphenyl)methylamino]pyrazole-3-carboxylate?
methyl 1-ethyl-4-[(4-methoxyphenyl)methylamino]pyrazole-3-carboxylate has a molecular weight of 289.34 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-ethyl-4-[(4-methoxyphenyl)methylamino]pyrazole-3-carboxylate is sourced from PubChem (CID 138633794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).