1-ethyl-3-methyl-5-N-[2-(3-methylphenoxy)ethyl]pyrazole-4,5-diamine

C15H22N4O — CID 66011672

IUPAC1-ethyl-3-methyl-5-N-[2-(3-methylphenoxy)ethyl]pyrazole-4,5-diamine
SMILESCCn1nc(C)c(N)c1NCCOc1cccc(C)c1
InChIInChI=1S/C15H22N4O/c1-4-19-15(14(16)12(3)18-19)17-8-9-20-13-7-5-6-11(2)10-13/h5-7,10,17H,4,8-9,16H2,1-3H3
InChIKeyUAVNXHIQOZSYGV-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.59
Rot. Bonds6

About 1-ethyl-3-methyl-5-N-[2-(3-methylphenoxy)ethyl]pyrazole-4,5-diamine

1-ethyl-3-methyl-5-N-[2-(3-methylphenoxy)ethyl]pyrazole-4,5-diamine (PubChem CID 66011672) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 1-ethyl-3-methyl-5-N-[2-(3-methylphenoxy)ethyl]pyrazole-4,5-diamine.

Molecular Properties

Compound Name1-ethyl-3-methyl-5-N-[2-(3-methylphenoxy)ethyl]pyrazole-4,5-diamine
PubChem CID66011672
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name1-ethyl-3-methyl-5-N-[2-(3-methylphenoxy)ethyl]pyrazole-4,5-diamine
SMILESCCn1nc(C)c(N)c1NCCOc1cccc(C)c1
InChIInChI=1S/C15H22N4O/c1-4-19-15(14(16)12(3)18-19)17-8-9-20-13-7-5-6-11(2)10-13/h5-7,10,17H,4,8-9,16H2,1-3H3
InChIKeyUAVNXHIQOZSYGV-UHFFFAOYSA-N
XLogP2.59
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-N-(2-butoxyethyl)-1-ethyl-3-methylpyrazole-4,5-diamine
CID 66012649
4-amino-1-ethyl-N-[2-(3-methylphenoxy)ethyl]pyrazole-5-carboxamide
CID 65358711
6-N-ethyl-4-N-[2-(3-methylphenoxy)ethyl]pyrimidine-2,4,6-triamine
CID 80791546
2-N-[2-(3-methylphenoxy)ethyl]pyridine-2,5-diamine
CID 55012620
6-chloro-4-N-[2-(3-methylphenoxy)ethyl]pyrimidine-4,5-diamine
CID 55134533
5-N-[2-(3-methylphenoxy)ethyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine
CID 103360203
2-methyl-4-N-[2-(3-methylphenoxy)ethyl]benzene-1,4-diamine
CID 55012527
N-[2-(3-methylphenoxy)ethyl]aniline
CID 54796212
5-methyl-2-N-[2-(3-methylphenoxy)ethyl]pyridine-2,4-diamine
CID 83266428
4-methyl-2-N-[2-(3-methylphenoxy)ethyl]pyridine-2,5-diamine
CID 79177071
6-N-methyl-4-N-[2-(3-methylphenoxy)ethyl]pyrimidine-2,4,6-triamine
CID 80814624
2,6-dimethyl-N-[3-(3-methylphenoxy)propyl]aniline
CID 82096121

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-5-N-[2-(3-methylphenoxy)ethyl]pyrazole-4,5-diamine?
The IUPAC name of 1-ethyl-3-methyl-5-N-[2-(3-methylphenoxy)ethyl]pyrazole-4,5-diamine (CID 66011672) is 1-ethyl-3-methyl-5-N-[2-(3-methylphenoxy)ethyl]pyrazole-4,5-diamine.
What is the SMILES notation for 1-ethyl-3-methyl-5-N-[2-(3-methylphenoxy)ethyl]pyrazole-4,5-diamine?
The canonical SMILES for 1-ethyl-3-methyl-5-N-[2-(3-methylphenoxy)ethyl]pyrazole-4,5-diamine is CCn1nc(C)c(N)c1NCCOc1cccc(C)c1.
What is the InChIKey of 1-ethyl-3-methyl-5-N-[2-(3-methylphenoxy)ethyl]pyrazole-4,5-diamine?
The InChIKey is UAVNXHIQOZSYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-4-19-15(14(16)12(3)18-19)17-8-9-20-13-7-5-6-11(2)10-13/h5-7,10,17H,4,8-9,16H2,1-3H3.
What are the key properties of 1-ethyl-3-methyl-5-N-[2-(3-methylphenoxy)ethyl]pyrazole-4,5-diamine?
1-ethyl-3-methyl-5-N-[2-(3-methylphenoxy)ethyl]pyrazole-4,5-diamine has a molecular weight of 274.37 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-5-N-[2-(3-methylphenoxy)ethyl]pyrazole-4,5-diamine is sourced from PubChem (CID 66011672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).