4-[2-(1,2-dimethoxyethyl)phenyl]-1-methylpyrazol-5-amine

C14H19N3O2 — CID 117407761

IUPAC4-[2-(1,2-dimethoxyethyl)phenyl]-1-methylpyrazol-5-amine
SMILESCOCC(OC)c1ccccc1-c1cnn(C)c1N
InChIInChI=1S/C14H19N3O2/c1-17-14(15)12(8-16-17)10-6-4-5-7-11(10)13(19-3)9-18-2/h4-8,13H,9,15H2,1-3H3
InChIKeyFODMKYZBGHGIQR-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.00
Rot. Bonds5

About 4-[2-(1,2-dimethoxyethyl)phenyl]-1-methylpyrazol-5-amine

4-[2-(1,2-dimethoxyethyl)phenyl]-1-methylpyrazol-5-amine (PubChem CID 117407761) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 4-[2-(1,2-dimethoxyethyl)phenyl]-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-[2-(1,2-dimethoxyethyl)phenyl]-1-methylpyrazol-5-amine
PubChem CID117407761
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name4-[2-(1,2-dimethoxyethyl)phenyl]-1-methylpyrazol-5-amine
SMILESCOCC(OC)c1ccccc1-c1cnn(C)c1N
InChIInChI=1S/C14H19N3O2/c1-17-14(15)12(8-16-17)10-6-4-5-7-11(10)13(19-3)9-18-2/h4-8,13H,9,15H2,1-3H3
InChIKeyFODMKYZBGHGIQR-UHFFFAOYSA-N
XLogP2.00
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-4-(2-propan-2-ylphenyl)pyrazol-5-amine
CID 117307113
4-[2-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
CID 117309638
2-(5-amino-1-methylpyrazol-4-yl)phenol
CID 105422844
4-[2-[1-(methoxymethyl)cyclopropyl]phenyl]-1-methylpyrazol-5-amine
CID 115112462
4-(2-methoxy-3-methylsulfanylphenyl)-1-methylpyrazol-5-amine
CID 117376784
[3-(5-amino-1-methylpyrazol-4-yl)-2-methoxyphenyl]methanol
CID 117338191
4-[2-fluoro-4-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
CID 117342045
4-[5-bromo-2-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
CID 117477168
4-[2,4-difluoro-3-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
CID 117385316
4-[4-(2-methoxyethoxy)phenyl]-1-methylpyrazol-5-amine
CID 117370752
4-(3-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine;hydrobromide
CID 117486227
4-[3-fluoro-2-methoxy-4-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
CID 117416887

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1,2-dimethoxyethyl)phenyl]-1-methylpyrazol-5-amine?
The IUPAC name of 4-[2-(1,2-dimethoxyethyl)phenyl]-1-methylpyrazol-5-amine (CID 117407761) is 4-[2-(1,2-dimethoxyethyl)phenyl]-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-[2-(1,2-dimethoxyethyl)phenyl]-1-methylpyrazol-5-amine?
The canonical SMILES for 4-[2-(1,2-dimethoxyethyl)phenyl]-1-methylpyrazol-5-amine is COCC(OC)c1ccccc1-c1cnn(C)c1N.
What is the InChIKey of 4-[2-(1,2-dimethoxyethyl)phenyl]-1-methylpyrazol-5-amine?
The InChIKey is FODMKYZBGHGIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-17-14(15)12(8-16-17)10-6-4-5-7-11(10)13(19-3)9-18-2/h4-8,13H,9,15H2,1-3H3.
What are the key properties of 4-[2-(1,2-dimethoxyethyl)phenyl]-1-methylpyrazol-5-amine?
4-[2-(1,2-dimethoxyethyl)phenyl]-1-methylpyrazol-5-amine has a molecular weight of 261.32 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1,2-dimethoxyethyl)phenyl]-1-methylpyrazol-5-amine is sourced from PubChem (CID 117407761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).