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

C13H26N4O — CID 66015421

IUPAC3-ethyl-1-methyl-5-N-[2-(3-methylbutoxy)ethyl]pyrazole-4,5-diamine
SMILESCCc1nn(C)c(NCCOCCC(C)C)c1N
InChIInChI=1S/C13H26N4O/c1-5-11-12(14)13(17(4)16-11)15-7-9-18-8-6-10(2)3/h10,15H,5-9,14H2,1-4H3
InChIKeyJFJOLFSQUVBTKS-UHFFFAOYSA-N
MW254.38 g/mol
LogP2.04
Rot. Bonds8

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

3-ethyl-1-methyl-5-N-[2-(3-methylbutoxy)ethyl]pyrazole-4,5-diamine (PubChem CID 66015421) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is 3-ethyl-1-methyl-5-N-[2-(3-methylbutoxy)ethyl]pyrazole-4,5-diamine.

Molecular Properties

Compound Name3-ethyl-1-methyl-5-N-[2-(3-methylbutoxy)ethyl]pyrazole-4,5-diamine
PubChem CID66015421
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC Name3-ethyl-1-methyl-5-N-[2-(3-methylbutoxy)ethyl]pyrazole-4,5-diamine
SMILESCCc1nn(C)c(NCCOCCC(C)C)c1N
InChIInChI=1S/C13H26N4O/c1-5-11-12(14)13(17(4)16-11)15-7-9-18-8-6-10(2)3/h10,15H,5-9,14H2,1-4H3
InChIKeyJFJOLFSQUVBTKS-UHFFFAOYSA-N
XLogP2.04
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 52.04
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

1-methyl-5-N-(4-methylpentyl)-3-propylpyrazole-4,5-diamine
CID 66019860
3-ethyl-1-methyl-5-N-pentylpyrazole-4,5-diamine
CID 66014562
3-ethyl-1-methyl-N-[2-(3-methylbutoxy)ethyl]pyrazol-4-amine
CID 107462730
5-N-[2-(diethylamino)ethyl]-3-ethyl-1-methylpyrazole-4,5-diamine
CID 66016551
5-N-(2,3-dimethoxypropyl)-3-ethyl-1-methylpyrazole-4,5-diamine
CID 114099110
2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]ethylurea
CID 83116801
4-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]butanamide
CID 66014592
3-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]-N-methylpropanamide
CID 66014820
methyl 2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]acetate
CID 66016354
3-ethyl-5-N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrazole-4,5-diamine
CID 66014362
5-N-(2-cyclohexyloxyethyl)-1-methyl-3-propylpyrazole-4,5-diamine
CID 66017735
5-N-(cyclohexylmethyl)-3-ethyl-1-methylpyrazole-4,5-diamine
CID 66015985

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-5-N-[2-(3-methylbutoxy)ethyl]pyrazole-4,5-diamine?
The IUPAC name of 3-ethyl-1-methyl-5-N-[2-(3-methylbutoxy)ethyl]pyrazole-4,5-diamine (CID 66015421) is 3-ethyl-1-methyl-5-N-[2-(3-methylbutoxy)ethyl]pyrazole-4,5-diamine.
What is the SMILES notation for 3-ethyl-1-methyl-5-N-[2-(3-methylbutoxy)ethyl]pyrazole-4,5-diamine?
The canonical SMILES for 3-ethyl-1-methyl-5-N-[2-(3-methylbutoxy)ethyl]pyrazole-4,5-diamine is CCc1nn(C)c(NCCOCCC(C)C)c1N.
What is the InChIKey of 3-ethyl-1-methyl-5-N-[2-(3-methylbutoxy)ethyl]pyrazole-4,5-diamine?
The InChIKey is JFJOLFSQUVBTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O/c1-5-11-12(14)13(17(4)16-11)15-7-9-18-8-6-10(2)3/h10,15H,5-9,14H2,1-4H3.
What are the key properties of 3-ethyl-1-methyl-5-N-[2-(3-methylbutoxy)ethyl]pyrazole-4,5-diamine?
3-ethyl-1-methyl-5-N-[2-(3-methylbutoxy)ethyl]pyrazole-4,5-diamine has a molecular weight of 254.38 g/mol, XLogP of 2.04, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-5-N-[2-(3-methylbutoxy)ethyl]pyrazole-4,5-diamine is sourced from PubChem (CID 66015421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).