2-(4-methylpyrazol-1-yl)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethanamine

C15H25N5 — CID 103825944

IUPAC2-(4-methylpyrazol-1-yl)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethanamine
SMILESCCC(CC)n1ccc(CNCCn2cc(C)cn2)n1
InChIInChI=1S/C15H25N5/c1-4-15(5-2)20-8-6-14(18-20)11-16-7-9-19-12-13(3)10-17-19/h6,8,10,12,15-16H,4-5,7,9,11H2,1-3H3
InChIKeyZGLISWTZDUFWKP-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.54
Rot. Bonds8

About 2-(4-methylpyrazol-1-yl)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethanamine

2-(4-methylpyrazol-1-yl)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethanamine (PubChem CID 103825944) has the molecular formula C15H25N5 and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-(4-methylpyrazol-1-yl)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(4-methylpyrazol-1-yl)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethanamine
PubChem CID103825944
Molecular FormulaC15H25N5
Molecular Weight275.40 g/mol
Exact Mass275.21
IUPAC Name2-(4-methylpyrazol-1-yl)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethanamine
SMILESCCC(CC)n1ccc(CNCCn2cc(C)cn2)n1
InChIInChI=1S/C15H25N5/c1-4-15(5-2)20-8-6-14(18-20)11-16-7-9-19-12-13(3)10-17-19/h6,8,10,12,15-16H,4-5,7,9,11H2,1-3H3
InChIKeyZGLISWTZDUFWKP-UHFFFAOYSA-N
XLogP2.54
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-pentan-3-ylpyrazol-3-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 64800508
6-[[2-(4-methylpyrazol-1-yl)ethylamino]methyl]pyridin-3-ol
CID 113384054
N-[(4-methylphenyl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine
CID 103649741
2-(4-methylpyrazol-1-yl)-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine
CID 114094649
2-(4-fluorophenyl)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethanamine
CID 64800428
N-[(4-chlorophenyl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine
CID 103649533
N-[2-[(1-pentan-3-ylpyrazol-3-yl)methylamino]ethyl]methanesulfonamide
CID 64801421
2-(4-methylpyrazol-1-yl)-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 107302391
3-[2-[(1-pentan-3-ylpyrazol-3-yl)methylamino]ethylsulfanyl]propan-1-ol
CID 106310130
1,3-dimethyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrazol-4-amine
CID 102805025
N-ethyl-1-[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrazol-4-yl]ethanamine
CID 64777533
1-[(1-pentan-3-ylpyrazol-3-yl)methylamino]propan-2-ol
CID 64801613

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpyrazol-1-yl)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethanamine?
The IUPAC name of 2-(4-methylpyrazol-1-yl)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethanamine (CID 103825944) is 2-(4-methylpyrazol-1-yl)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethanamine.
What is the SMILES notation for 2-(4-methylpyrazol-1-yl)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethanamine?
The canonical SMILES for 2-(4-methylpyrazol-1-yl)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethanamine is CCC(CC)n1ccc(CNCCn2cc(C)cn2)n1.
What is the InChIKey of 2-(4-methylpyrazol-1-yl)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethanamine?
The InChIKey is ZGLISWTZDUFWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5/c1-4-15(5-2)20-8-6-14(18-20)11-16-7-9-19-12-13(3)10-17-19/h6,8,10,12,15-16H,4-5,7,9,11H2,1-3H3.
What are the key properties of 2-(4-methylpyrazol-1-yl)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethanamine?
2-(4-methylpyrazol-1-yl)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethanamine has a molecular weight of 275.40 g/mol, XLogP of 2.54, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpyrazol-1-yl)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 103825944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).