4-[2,3-dimethoxy-5-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine

C14H19N3O3 — CID 117444282

IUPAC4-[2,3-dimethoxy-5-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
SMILESCOCc1cc(OC)c(OC)c(-c2cnn(C)c2N)c1
InChIInChI=1S/C14H19N3O3/c1-17-14(15)11(7-16-17)10-5-9(8-18-2)6-12(19-3)13(10)20-4/h5-7H,8,15H2,1-4H3
InChIKeyLWPVYDMNSAOWJZ-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.83
Rot. Bonds5

About 4-[2,3-dimethoxy-5-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine

4-[2,3-dimethoxy-5-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine (PubChem CID 117444282) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 4-[2,3-dimethoxy-5-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-[2,3-dimethoxy-5-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
PubChem CID117444282
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name4-[2,3-dimethoxy-5-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
SMILESCOCc1cc(OC)c(OC)c(-c2cnn(C)c2N)c1
InChIInChI=1S/C14H19N3O3/c1-17-14(15)11(7-16-17)10-5-9(8-18-2)6-12(19-3)13(10)20-4/h5-7H,8,15H2,1-4H3
InChIKeyLWPVYDMNSAOWJZ-UHFFFAOYSA-N
XLogP1.83
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2,3-dimethoxy-5,6-dimethylphenyl)-1-methylpyrazol-5-amine
CID 117407767
4-[5-(2-fluoropropan-2-yl)-2,3-dimethoxyphenyl]-1-methylpyrazol-5-amine
CID 117473364
4-[5-(1-fluoroethyl)-2,3-dimethoxyphenyl]-1-methylpyrazol-5-amine
CID 117447770
4-[3,5-dimethoxy-4-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
CID 117444289
4-(2,4-difluoro-3,5-dimethoxyphenyl)-1-methylpyrazol-5-amine
CID 117426009
4-(3-chloro-2,5-dimethoxy-4-methylphenyl)-1-methylpyrazol-5-amine
CID 117452245
4-[2-fluoro-4-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
CID 117342045
4-(5-ethyl-3-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117375989
5-[2,3-dimethoxy-5-(methoxymethyl)phenyl]-1,2-oxazol-3-amine
CID 117414884
4-[3-fluoro-2-methoxy-4-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
CID 117416887
4-(3-chloro-2,5-dimethoxyphenyl)-1-methylpyrazol-5-amine
CID 117422690
4-(3-chloro-5-ethyl-2,4-dimethoxyphenyl)-1-methylpyrazol-5-amine
CID 117476513

Frequently Asked Questions

What is the IUPAC name of 4-[2,3-dimethoxy-5-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine?
The IUPAC name of 4-[2,3-dimethoxy-5-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine (CID 117444282) is 4-[2,3-dimethoxy-5-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-[2,3-dimethoxy-5-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine?
The canonical SMILES for 4-[2,3-dimethoxy-5-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine is COCc1cc(OC)c(OC)c(-c2cnn(C)c2N)c1.
What is the InChIKey of 4-[2,3-dimethoxy-5-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine?
The InChIKey is LWPVYDMNSAOWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-17-14(15)11(7-16-17)10-5-9(8-18-2)6-12(19-3)13(10)20-4/h5-7H,8,15H2,1-4H3.
What are the key properties of 4-[2,3-dimethoxy-5-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine?
4-[2,3-dimethoxy-5-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine has a molecular weight of 277.32 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 4-[2,3-dimethoxy-5-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine is sourced from PubChem (CID 117444282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).