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

C14H17N3O3 — CID 138633795

IUPACmethyl 4-[(4-methoxyphenyl)methylamino]-1-methylpyrazole-3-carboxylate
SMILESCOC(=O)c1nn(C)cc1NCc1ccc(OC)cc1
InChIInChI=1S/C14H17N3O3/c1-17-9-12(13(16-17)14(18)20-3)15-8-10-4-6-11(19-2)7-5-10/h4-7,9,15H,8H2,1-3H3
InChIKeyOCYWNISTRZTNSJ-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.83
Rot. Bonds5

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

methyl 4-[(4-methoxyphenyl)methylamino]-1-methylpyrazole-3-carboxylate (PubChem CID 138633795) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is methyl 4-[(4-methoxyphenyl)methylamino]-1-methylpyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(4-methoxyphenyl)methylamino]-1-methylpyrazole-3-carboxylate
PubChem CID138633795
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Namemethyl 4-[(4-methoxyphenyl)methylamino]-1-methylpyrazole-3-carboxylate
SMILESCOC(=O)c1nn(C)cc1NCc1ccc(OC)cc1
InChIInChI=1S/C14H17N3O3/c1-17-9-12(13(16-17)14(18)20-3)15-8-10-4-6-11(19-2)7-5-10/h4-7,9,15H,8H2,1-3H3
InChIKeyOCYWNISTRZTNSJ-UHFFFAOYSA-N
XLogP1.83
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[(4-methoxyphenyl)methylamino]-1-methylpyrazole-3-carboxylate?
The IUPAC name of methyl 4-[(4-methoxyphenyl)methylamino]-1-methylpyrazole-3-carboxylate (CID 138633795) is methyl 4-[(4-methoxyphenyl)methylamino]-1-methylpyrazole-3-carboxylate.
What is the SMILES notation for methyl 4-[(4-methoxyphenyl)methylamino]-1-methylpyrazole-3-carboxylate?
The canonical SMILES for methyl 4-[(4-methoxyphenyl)methylamino]-1-methylpyrazole-3-carboxylate is COC(=O)c1nn(C)cc1NCc1ccc(OC)cc1.
What is the InChIKey of methyl 4-[(4-methoxyphenyl)methylamino]-1-methylpyrazole-3-carboxylate?
The InChIKey is OCYWNISTRZTNSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-17-9-12(13(16-17)14(18)20-3)15-8-10-4-6-11(19-2)7-5-10/h4-7,9,15H,8H2,1-3H3.
What are the key properties of methyl 4-[(4-methoxyphenyl)methylamino]-1-methylpyrazole-3-carboxylate?
methyl 4-[(4-methoxyphenyl)methylamino]-1-methylpyrazole-3-carboxylate has a molecular weight of 275.31 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(4-methoxyphenyl)methylamino]-1-methylpyrazole-3-carboxylate is sourced from PubChem (CID 138633795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).