[3-[(3,5-diethylpyrazol-1-yl)methyl]phenyl]methanamine

C15H21N3 — CID 82691975

IUPAC[3-[(3,5-diethylpyrazol-1-yl)methyl]phenyl]methanamine
SMILESCCc1cc(CC)n(Cc2cccc(CN)c2)n1
InChIInChI=1S/C15H21N3/c1-3-14-9-15(4-2)18(17-14)11-13-7-5-6-12(8-13)10-16/h5-9H,3-4,10-11,16H2,1-2H3
InChIKeyUULZHVJCNMKJQX-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.51
Rot. Bonds5

About [3-[(3,5-diethylpyrazol-1-yl)methyl]phenyl]methanamine

[3-[(3,5-diethylpyrazol-1-yl)methyl]phenyl]methanamine (PubChem CID 82691975) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is [3-[(3,5-diethylpyrazol-1-yl)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[3-[(3,5-diethylpyrazol-1-yl)methyl]phenyl]methanamine
PubChem CID82691975
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name[3-[(3,5-diethylpyrazol-1-yl)methyl]phenyl]methanamine
SMILESCCc1cc(CC)n(Cc2cccc(CN)c2)n1
InChIInChI=1S/C15H21N3/c1-3-14-9-15(4-2)18(17-14)11-13-7-5-6-12(8-13)10-16/h5-9H,3-4,10-11,16H2,1-2H3
InChIKeyUULZHVJCNMKJQX-UHFFFAOYSA-N
XLogP2.51
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-[(3,5-diethylpyrazol-1-yl)methyl]phenyl]methanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-[(3,5-diethylpyrazol-1-yl)methyl]phenyl]methanamine?
The IUPAC name of [3-[(3,5-diethylpyrazol-1-yl)methyl]phenyl]methanamine (CID 82691975) is [3-[(3,5-diethylpyrazol-1-yl)methyl]phenyl]methanamine.
What is the SMILES notation for [3-[(3,5-diethylpyrazol-1-yl)methyl]phenyl]methanamine?
The canonical SMILES for [3-[(3,5-diethylpyrazol-1-yl)methyl]phenyl]methanamine is CCc1cc(CC)n(Cc2cccc(CN)c2)n1.
What is the InChIKey of [3-[(3,5-diethylpyrazol-1-yl)methyl]phenyl]methanamine?
The InChIKey is UULZHVJCNMKJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-3-14-9-15(4-2)18(17-14)11-13-7-5-6-12(8-13)10-16/h5-9H,3-4,10-11,16H2,1-2H3.
What are the key properties of [3-[(3,5-diethylpyrazol-1-yl)methyl]phenyl]methanamine?
[3-[(3,5-diethylpyrazol-1-yl)methyl]phenyl]methanamine has a molecular weight of 243.35 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3,5-diethylpyrazol-1-yl)methyl]phenyl]methanamine is sourced from PubChem (CID 82691975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).