2-(1-hexyl-3,5-dimethylpyrazol-4-yl)ethanamine

C13H25N3 — CID 62729687

IUPAC2-(1-hexyl-3,5-dimethylpyrazol-4-yl)ethanamine
SMILESCCCCCCn1nc(C)c(CCN)c1C
InChIInChI=1S/C13H25N3/c1-4-5-6-7-10-16-12(3)13(8-9-14)11(2)15-16/h4-10,14H2,1-3H3
InChIKeyBCZDQAIPDYHZSN-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.58
Rot. Bonds7

About 2-(1-hexyl-3,5-dimethylpyrazol-4-yl)ethanamine

2-(1-hexyl-3,5-dimethylpyrazol-4-yl)ethanamine (PubChem CID 62729687) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 2-(1-hexyl-3,5-dimethylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(1-hexyl-3,5-dimethylpyrazol-4-yl)ethanamine
PubChem CID62729687
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name2-(1-hexyl-3,5-dimethylpyrazol-4-yl)ethanamine
SMILESCCCCCCn1nc(C)c(CCN)c1C
InChIInChI=1S/C13H25N3/c1-4-5-6-7-10-16-12(3)13(8-9-14)11(2)15-16/h4-10,14H2,1-3H3
InChIKeyBCZDQAIPDYHZSN-UHFFFAOYSA-N
XLogP2.58
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(1-hexyl-3,5-dimethylpyrazol-4-yl)ethanamine 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

2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethanamine;hydrochloride
CID 71755396
2-(1-decyl-3,5-dimethylpyrazol-4-yl)acetic acid
CID 62222579
3-[4-(2-aminoethyl)-3,5-dimethylpyrazol-1-yl]propanenitrile
CID 79219987
2-[3,5-dimethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrazol-4-yl]ethanamine
CID 62730587
4-bromo-1-decyl-3,5-dimethylpyrazole
CID 63428341
5-(4-ethyl-3,5-dimethylpyrazol-1-yl)pentan-1-ol
CID 62229176
1-decyl-3,5-dimethylpyrazole-4-sulfonamide
CID 81336690
N-[(1-heptyl-3,5-dimethylpyrazol-4-yl)methyl]cyclopropanamine
CID 43648067
N-[(3,5-dimethyl-1-nonylpyrazol-4-yl)methyl]cyclopropanamine
CID 43648066
2-(1,3,5-trimethylpyrazol-4-yl)ethanamine;hydrochloride
CID 50988502
1-(1-hexyl-3,5-dimethylpyrazol-4-yl)ethanone
CID 62726492
N-[(1-hexyl-3,5-dimethylpyrazol-4-yl)methyl]-2-methoxyethanamine
CID 62732261

Frequently Asked Questions

What is the IUPAC name of 2-(1-hexyl-3,5-dimethylpyrazol-4-yl)ethanamine?
The IUPAC name of 2-(1-hexyl-3,5-dimethylpyrazol-4-yl)ethanamine (CID 62729687) is 2-(1-hexyl-3,5-dimethylpyrazol-4-yl)ethanamine.
What is the SMILES notation for 2-(1-hexyl-3,5-dimethylpyrazol-4-yl)ethanamine?
The canonical SMILES for 2-(1-hexyl-3,5-dimethylpyrazol-4-yl)ethanamine is CCCCCCn1nc(C)c(CCN)c1C.
What is the InChIKey of 2-(1-hexyl-3,5-dimethylpyrazol-4-yl)ethanamine?
The InChIKey is BCZDQAIPDYHZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-4-5-6-7-10-16-12(3)13(8-9-14)11(2)15-16/h4-10,14H2,1-3H3.
What are the key properties of 2-(1-hexyl-3,5-dimethylpyrazol-4-yl)ethanamine?
2-(1-hexyl-3,5-dimethylpyrazol-4-yl)ethanamine has a molecular weight of 223.36 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hexyl-3,5-dimethylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 62729687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).