methoxymethyl 1-(3-aminophenyl)pyrazole-3-carboxylate

C12H13N3O3 — CID 65365024

IUPACmethoxymethyl 1-(3-aminophenyl)pyrazole-3-carboxylate
SMILESCOCOC(=O)c1ccn(-c2cccc(N)c2)n1
InChIInChI=1S/C12H13N3O3/c1-17-8-18-12(16)11-5-6-15(14-11)10-4-2-3-9(13)7-10/h2-7H,8,13H2,1H3
InChIKeyDCODCPDVNLVSPF-UHFFFAOYSA-N
MW247.25 g/mol
LogP1.22
Rot. Bonds4

About methoxymethyl 1-(3-aminophenyl)pyrazole-3-carboxylate

methoxymethyl 1-(3-aminophenyl)pyrazole-3-carboxylate (PubChem CID 65365024) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is methoxymethyl 1-(3-aminophenyl)pyrazole-3-carboxylate.

Molecular Properties

Compound Namemethoxymethyl 1-(3-aminophenyl)pyrazole-3-carboxylate
PubChem CID65365024
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Namemethoxymethyl 1-(3-aminophenyl)pyrazole-3-carboxylate
SMILESCOCOC(=O)c1ccn(-c2cccc(N)c2)n1
InChIInChI=1S/C12H13N3O3/c1-17-8-18-12(16)11-5-6-15(14-11)10-4-2-3-9(13)7-10/h2-7H,8,13H2,1H3
InChIKeyDCODCPDVNLVSPF-UHFFFAOYSA-N
XLogP1.22
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methoxymethyl 1-(4-aminophenyl)pyrazole-3-carboxylate
CID 65365026
cyclopropylmethoxymethyl 1-(3-aminophenyl)pyrazole-3-carboxylate
CID 106930469
pentan-2-yl 1-(3-aminophenyl)pyrazole-3-carboxylate
CID 102983084
cyclobutyl 1-(3-aminophenyl)pyrazole-3-carboxylate
CID 62383833
1-(3-aminophenyl)-N-propan-2-ylpyrazole-3-carboxamide
CID 43475412
1-(3-aminophenyl)-N-propylpyrazole-3-carboxamide
CID 43475405
1-(3-aminophenyl)-N-(1,3-dihydroxypropan-2-yl)pyrazole-3-carboxamide
CID 65310413
1-(3-aminophenyl)-N-(3-hydroxy-2-methylpropyl)pyrazole-3-carboxamide
CID 65032072
[1-(3-aminophenyl)pyrazol-3-yl]-(3-hydroxyazetidin-1-yl)methanone
CID 107209960
(4-methoxyphenyl)methyl 1-(3-chlorophenyl)pyrazole-3-carboxylate
CID 60546133
benzyl 1-(3-chlorophenyl)pyrazole-3-carboxylate
CID 60546555
prop-2-enyl 1-(3-fluorophenyl)pyrazole-3-carboxylate
CID 86846505

Frequently Asked Questions

What is the IUPAC name of methoxymethyl 1-(3-aminophenyl)pyrazole-3-carboxylate?
The IUPAC name of methoxymethyl 1-(3-aminophenyl)pyrazole-3-carboxylate (CID 65365024) is methoxymethyl 1-(3-aminophenyl)pyrazole-3-carboxylate.
What is the SMILES notation for methoxymethyl 1-(3-aminophenyl)pyrazole-3-carboxylate?
The canonical SMILES for methoxymethyl 1-(3-aminophenyl)pyrazole-3-carboxylate is COCOC(=O)c1ccn(-c2cccc(N)c2)n1.
What is the InChIKey of methoxymethyl 1-(3-aminophenyl)pyrazole-3-carboxylate?
The InChIKey is DCODCPDVNLVSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-17-8-18-12(16)11-5-6-15(14-11)10-4-2-3-9(13)7-10/h2-7H,8,13H2,1H3.
What are the key properties of methoxymethyl 1-(3-aminophenyl)pyrazole-3-carboxylate?
methoxymethyl 1-(3-aminophenyl)pyrazole-3-carboxylate has a molecular weight of 247.25 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethyl 1-(3-aminophenyl)pyrazole-3-carboxylate is sourced from PubChem (CID 65365024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).