3-ethyl-1-methyl-N-[2-(3-methylbutoxy)ethyl]pyrazol-4-amine

C13H25N3O — CID 107462730

IUPAC3-ethyl-1-methyl-N-[2-(3-methylbutoxy)ethyl]pyrazol-4-amine
SMILESCCc1nn(C)cc1NCCOCCC(C)C
InChIInChI=1S/C13H25N3O/c1-5-12-13(10-16(4)15-12)14-7-9-17-8-6-11(2)3/h10-11,14H,5-9H2,1-4H3
InChIKeyANTIBGSUAVCUOK-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.46
Rot. Bonds8

About 3-ethyl-1-methyl-N-[2-(3-methylbutoxy)ethyl]pyrazol-4-amine

3-ethyl-1-methyl-N-[2-(3-methylbutoxy)ethyl]pyrazol-4-amine (PubChem CID 107462730) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 3-ethyl-1-methyl-N-[2-(3-methylbutoxy)ethyl]pyrazol-4-amine.

Molecular Properties

Compound Name3-ethyl-1-methyl-N-[2-(3-methylbutoxy)ethyl]pyrazol-4-amine
PubChem CID107462730
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name3-ethyl-1-methyl-N-[2-(3-methylbutoxy)ethyl]pyrazol-4-amine
SMILESCCc1nn(C)cc1NCCOCCC(C)C
InChIInChI=1S/C13H25N3O/c1-5-12-13(10-16(4)15-12)14-7-9-17-8-6-11(2)3/h10-11,14H,5-9H2,1-4H3
InChIKeyANTIBGSUAVCUOK-UHFFFAOYSA-N
XLogP2.46
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-ethyl-1-methyl-N-[2-(3-methylbutoxy)ethyl]pyrazol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethyl-N-[2-(2-methoxyethoxy)ethyl]-1-methylpyrazol-4-amine
CID 107462838
1-[(3-ethyl-1-methylpyrazol-4-yl)amino]-3-(4-methylpentoxy)propan-2-ol
CID 107462805
5-[(3-ethyl-1-methylpyrazol-4-yl)amino]pentanenitrile
CID 107462882
3-ethyl-1-methyl-N-pentylpyrazol-4-amine
CID 107462468
3-ethyl-1-methyl-5-N-[2-(3-methylbutoxy)ethyl]pyrazole-4,5-diamine
CID 66015421
4-[(3-ethyl-1-methylpyrazol-4-yl)amino]butan-1-ol
CID 107462832
N-(2,2-dimethylpropyl)-3-ethyl-1-methylpyrazol-4-amine
CID 115898031
3-ethyl-1-methyl-N-(3-phenoxypropyl)pyrazol-4-amine
CID 107462816
3-ethyl-1-methyl-N-pentan-2-ylpyrazol-4-amine
CID 115923160
1-(2-ethoxyethoxy)-3-[(3-ethyl-1-methylpyrazol-4-yl)amino]propan-2-ol
CID 107462679
N-(1,1-dimethoxypropan-2-yl)-3-ethyl-1-methylpyrazol-4-amine
CID 107462393
N-[2-(3-methoxypropoxy)ethyl]-1,3-dimethylpyrazol-4-amine
CID 103179574

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-N-[2-(3-methylbutoxy)ethyl]pyrazol-4-amine?
The IUPAC name of 3-ethyl-1-methyl-N-[2-(3-methylbutoxy)ethyl]pyrazol-4-amine (CID 107462730) is 3-ethyl-1-methyl-N-[2-(3-methylbutoxy)ethyl]pyrazol-4-amine.
What is the SMILES notation for 3-ethyl-1-methyl-N-[2-(3-methylbutoxy)ethyl]pyrazol-4-amine?
The canonical SMILES for 3-ethyl-1-methyl-N-[2-(3-methylbutoxy)ethyl]pyrazol-4-amine is CCc1nn(C)cc1NCCOCCC(C)C.
What is the InChIKey of 3-ethyl-1-methyl-N-[2-(3-methylbutoxy)ethyl]pyrazol-4-amine?
The InChIKey is ANTIBGSUAVCUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-5-12-13(10-16(4)15-12)14-7-9-17-8-6-11(2)3/h10-11,14H,5-9H2,1-4H3.
What are the key properties of 3-ethyl-1-methyl-N-[2-(3-methylbutoxy)ethyl]pyrazol-4-amine?
3-ethyl-1-methyl-N-[2-(3-methylbutoxy)ethyl]pyrazol-4-amine has a molecular weight of 239.36 g/mol, XLogP of 2.46, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-N-[2-(3-methylbutoxy)ethyl]pyrazol-4-amine is sourced from PubChem (CID 107462730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).