4-[(2,4-dimethoxyphenyl)methylamino]-1-ethylpyrazole-3-carboxylic acid

C15H19N3O4 — CID 19624826

IUPAC4-[(2,4-dimethoxyphenyl)methylamino]-1-ethylpyrazole-3-carboxylic acid
SMILESCCn1cc(NCc2ccc(OC)cc2OC)c(C(=O)O)n1
InChIInChI=1S/C15H19N3O4/c1-4-18-9-12(14(17-18)15(19)20)16-8-10-5-6-11(21-2)7-13(10)22-3/h5-7,9,16H,4,8H2,1-3H3,(H,19,20)
InChIKeyNXKUSZXCBSHMLW-UHFFFAOYSA-N
MW305.33 g/mol
LogP2.23
Rot. Bonds7

About 4-[(2,4-dimethoxyphenyl)methylamino]-1-ethylpyrazole-3-carboxylic acid

4-[(2,4-dimethoxyphenyl)methylamino]-1-ethylpyrazole-3-carboxylic acid (PubChem CID 19624826) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is 4-[(2,4-dimethoxyphenyl)methylamino]-1-ethylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name4-[(2,4-dimethoxyphenyl)methylamino]-1-ethylpyrazole-3-carboxylic acid
PubChem CID19624826
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Name4-[(2,4-dimethoxyphenyl)methylamino]-1-ethylpyrazole-3-carboxylic acid
SMILESCCn1cc(NCc2ccc(OC)cc2OC)c(C(=O)O)n1
InChIInChI=1S/C15H19N3O4/c1-4-18-9-12(14(17-18)15(19)20)16-8-10-5-6-11(21-2)7-13(10)22-3/h5-7,9,16H,4,8H2,1-3H3,(H,19,20)
InChIKeyNXKUSZXCBSHMLW-UHFFFAOYSA-N
XLogP2.23
TPSA85.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2,4-dimethoxyaniline
CID 19619118
5-[(2,4-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylic acid
CID 138596099
N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxyaniline
CID 39427088
5-amino-6-[(2,4-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylic acid
CID 139327511
5-[(2,4-dimethoxyphenyl)methylamino]-4-methoxycarbonylpyridine-3-carboxylic acid
CID 175285325
2-[(2,4-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylic acid
CID 107553954
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2,4-dimethoxyaniline
CID 115885486
2-[(2,4-dimethoxyphenyl)methylamino]acetic acid
CID 11042399
2-[(2,4-dimethoxyanilino)methyl]-5-methoxyphenol
CID 61268572
2-chloro-6-[(2,4-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylic acid
CID 118425010
[2-[(2,4-dimethoxyphenyl)methylamino]phenyl]methanol
CID 43743131
N-[(2,4-dimethoxyphenyl)methyl]-1-ethylimidazol-2-amine
CID 63362794

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dimethoxyphenyl)methylamino]-1-ethylpyrazole-3-carboxylic acid?
The IUPAC name of 4-[(2,4-dimethoxyphenyl)methylamino]-1-ethylpyrazole-3-carboxylic acid (CID 19624826) is 4-[(2,4-dimethoxyphenyl)methylamino]-1-ethylpyrazole-3-carboxylic acid.
What is the SMILES notation for 4-[(2,4-dimethoxyphenyl)methylamino]-1-ethylpyrazole-3-carboxylic acid?
The canonical SMILES for 4-[(2,4-dimethoxyphenyl)methylamino]-1-ethylpyrazole-3-carboxylic acid is CCn1cc(NCc2ccc(OC)cc2OC)c(C(=O)O)n1.
What is the InChIKey of 4-[(2,4-dimethoxyphenyl)methylamino]-1-ethylpyrazole-3-carboxylic acid?
The InChIKey is NXKUSZXCBSHMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4/c1-4-18-9-12(14(17-18)15(19)20)16-8-10-5-6-11(21-2)7-13(10)22-3/h5-7,9,16H,4,8H2,1-3H3,(H,19,20).
What are the key properties of 4-[(2,4-dimethoxyphenyl)methylamino]-1-ethylpyrazole-3-carboxylic acid?
4-[(2,4-dimethoxyphenyl)methylamino]-1-ethylpyrazole-3-carboxylic acid has a molecular weight of 305.33 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dimethoxyphenyl)methylamino]-1-ethylpyrazole-3-carboxylic acid is sourced from PubChem (CID 19624826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).