4-(butoxymethyl)-N-ethyl-1,3-dimethylpyrazol-5-amine

C12H23N3O — CID 62195554

IUPAC4-(butoxymethyl)-N-ethyl-1,3-dimethylpyrazol-5-amine
SMILESCCCCOCc1c(C)nn(C)c1NCC
InChIInChI=1S/C12H23N3O/c1-5-7-8-16-9-11-10(3)14-15(4)12(11)13-6-2/h13H,5-9H2,1-4H3
InChIKeyVHTDWDSGVHUFFI-UHFFFAOYSA-N
MW225.34 g/mol
LogP2.48
Rot. Bonds7

About 4-(butoxymethyl)-N-ethyl-1,3-dimethylpyrazol-5-amine

4-(butoxymethyl)-N-ethyl-1,3-dimethylpyrazol-5-amine (PubChem CID 62195554) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 4-(butoxymethyl)-N-ethyl-1,3-dimethylpyrazol-5-amine.

Molecular Properties

Compound Name4-(butoxymethyl)-N-ethyl-1,3-dimethylpyrazol-5-amine
PubChem CID62195554
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name4-(butoxymethyl)-N-ethyl-1,3-dimethylpyrazol-5-amine
SMILESCCCCOCc1c(C)nn(C)c1NCC
InChIInChI=1S/C12H23N3O/c1-5-7-8-16-9-11-10(3)14-15(4)12(11)13-6-2/h13H,5-9H2,1-4H3
InChIKeyVHTDWDSGVHUFFI-UHFFFAOYSA-N
XLogP2.48
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(butoxymethyl)-N-ethyl-1,3-dimethylpyrazol-5-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

N-ethyl-1,3-dimethyl-4-(propan-2-yloxymethyl)pyrazol-5-amine
CID 62194625
[5-(ethylamino)-1,3-dimethylpyrazol-4-yl]methanol
CID 62194679
4-(cyclopropylmethoxymethyl)-1,3-dimethyl-N-propylpyrazol-5-amine
CID 62193776
[4-(2-ethoxyethoxymethyl)-1,3-dimethylpyrazol-5-yl]hydrazine
CID 62246595
4-[[5-(ethylamino)-1,3-dimethylpyrazol-4-yl]methylsulfanyl]phenol
CID 55044477
N-ethyl-1,3-dimethyl-4-[(3-methylpyrrolidin-1-yl)methyl]pyrazol-5-amine
CID 55046124
N-[[1-(2-butoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]ethanamine
CID 61483845
4-[(2,3-dimethylpiperidin-1-yl)methyl]-N-ethyl-1,3-dimethylpyrazol-5-amine
CID 55046555
5-N-(2-butoxyethyl)-1-methyl-3-propylpyrazole-4,5-diamine
CID 66019463
5-(ethylamino)-1,3-dimethylpyrazole-4-carbonitrile
CID 63757322
[4-(methoxymethyl)-1,3-dimethylpyrazol-5-yl]hydrazine
CID 62245433
[1-(2-butoxyethyl)-3,5-dimethylpyrazol-4-yl]methanol
CID 61483803

Frequently Asked Questions

What is the IUPAC name of 4-(butoxymethyl)-N-ethyl-1,3-dimethylpyrazol-5-amine?
The IUPAC name of 4-(butoxymethyl)-N-ethyl-1,3-dimethylpyrazol-5-amine (CID 62195554) is 4-(butoxymethyl)-N-ethyl-1,3-dimethylpyrazol-5-amine.
What is the SMILES notation for 4-(butoxymethyl)-N-ethyl-1,3-dimethylpyrazol-5-amine?
The canonical SMILES for 4-(butoxymethyl)-N-ethyl-1,3-dimethylpyrazol-5-amine is CCCCOCc1c(C)nn(C)c1NCC.
What is the InChIKey of 4-(butoxymethyl)-N-ethyl-1,3-dimethylpyrazol-5-amine?
The InChIKey is VHTDWDSGVHUFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-5-7-8-16-9-11-10(3)14-15(4)12(11)13-6-2/h13H,5-9H2,1-4H3.
What are the key properties of 4-(butoxymethyl)-N-ethyl-1,3-dimethylpyrazol-5-amine?
4-(butoxymethyl)-N-ethyl-1,3-dimethylpyrazol-5-amine has a molecular weight of 225.34 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butoxymethyl)-N-ethyl-1,3-dimethylpyrazol-5-amine is sourced from PubChem (CID 62195554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).