2-pyrazol-1-yl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine

C13H20N4 — CID 62473154

IUPAC2-pyrazol-1-yl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine
SMILESCc1cc(CNCCn2cccn2)c(C)n1C
InChIInChI=1S/C13H20N4/c1-11-9-13(12(2)16(11)3)10-14-6-8-17-7-4-5-15-17/h4-5,7,9,14H,6,8,10H2,1-3H3
InChIKeyVWZYSEIASRXZNL-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.63
Rot. Bonds5

About 2-pyrazol-1-yl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine

2-pyrazol-1-yl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine (PubChem CID 62473154) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-pyrazol-1-yl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-pyrazol-1-yl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine
PubChem CID62473154
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name2-pyrazol-1-yl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine
SMILESCc1cc(CNCCn2cccn2)c(C)n1C
InChIInChI=1S/C13H20N4/c1-11-9-13(12(2)16(11)3)10-14-6-8-17-7-4-5-15-17/h4-5,7,9,14H,6,8,10H2,1-3H3
InChIKeyVWZYSEIASRXZNL-UHFFFAOYSA-N
XLogP1.63
TPSA34.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-pyrazol-1-ylethanamine
CID 79604843
N-[(2,4-dimethylphenyl)methyl]-2-pyrazol-1-ylethanamine
CID 61070927
N-[(1,2,5-trimethylpyrrol-3-yl)methyl]butan-1-amine
CID 50850663
N-[(1,2,5-trimethylpyrrol-3-yl)methyl]octan-1-amine
CID 113337043
2-(azepan-1-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine
CID 62475138
2-(4-methylpiperazin-1-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine
CID 62474770
N-[(2,4-dimethoxyphenyl)methyl]-2-pyrazol-1-ylethanamine
CID 61070547
N-[(1-methylindol-3-yl)methyl]-2-pyrazol-1-ylethanamine
CID 107235485
4-methyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]pentan-1-amine
CID 62473871
N-[(3-methyl-2-pyridinyl)methyl]-1-(1,2,5-trimethylpyrrol-3-yl)methanamine
CID 63305484
N-[(2-bromo-3,4-dimethoxyphenyl)methyl]-2-pyrazol-1-ylethanamine
CID 56781264
N-[(6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-pyrazol-1-ylethanamine
CID 64988200

Frequently Asked Questions

What is the IUPAC name of 2-pyrazol-1-yl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine?
The IUPAC name of 2-pyrazol-1-yl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine (CID 62473154) is 2-pyrazol-1-yl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine.
What is the SMILES notation for 2-pyrazol-1-yl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine?
The canonical SMILES for 2-pyrazol-1-yl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine is Cc1cc(CNCCn2cccn2)c(C)n1C.
What is the InChIKey of 2-pyrazol-1-yl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine?
The InChIKey is VWZYSEIASRXZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-11-9-13(12(2)16(11)3)10-14-6-8-17-7-4-5-15-17/h4-5,7,9,14H,6,8,10H2,1-3H3.
What are the key properties of 2-pyrazol-1-yl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine?
2-pyrazol-1-yl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine has a molecular weight of 232.33 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazol-1-yl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine is sourced from PubChem (CID 62473154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).