N-[[5-(3,5-diethylpyrazol-1-yl)pyrazin-2-yl]methyl]propan-1-amine

C15H23N5 — CID 107381268

IUPACN-[[5-(3,5-diethylpyrazol-1-yl)pyrazin-2-yl]methyl]propan-1-amine
SMILESCCCNCc1cnc(-n2nc(CC)cc2CC)cn1
InChIInChI=1S/C15H23N5/c1-4-7-16-9-13-10-18-15(11-17-13)20-14(6-3)8-12(5-2)19-20/h8,10-11,16H,4-7,9H2,1-3H3
InChIKeyJQPDXTIDDYRCID-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.29
Rot. Bonds7

About N-[[5-(3,5-diethylpyrazol-1-yl)pyrazin-2-yl]methyl]propan-1-amine

N-[[5-(3,5-diethylpyrazol-1-yl)pyrazin-2-yl]methyl]propan-1-amine (PubChem CID 107381268) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[[5-(3,5-diethylpyrazol-1-yl)pyrazin-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-(3,5-diethylpyrazol-1-yl)pyrazin-2-yl]methyl]propan-1-amine
PubChem CID107381268
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC NameN-[[5-(3,5-diethylpyrazol-1-yl)pyrazin-2-yl]methyl]propan-1-amine
SMILESCCCNCc1cnc(-n2nc(CC)cc2CC)cn1
InChIInChI=1S/C15H23N5/c1-4-7-16-9-13-10-18-15(11-17-13)20-14(6-3)8-12(5-2)19-20/h8,10-11,16H,4-7,9H2,1-3H3
InChIKeyJQPDXTIDDYRCID-UHFFFAOYSA-N
XLogP2.29
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.29
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-[[2-(3,5-diethylpyrazol-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 82694623
N-[(5-pyrrolidin-1-ylpyrazin-2-yl)methyl]propan-1-amine
CID 107378814
N-[(5-pyrazol-1-ylpyrazin-2-yl)methyl]propan-1-amine
CID 107381120
N-[[5-(3-propan-2-ylpyrrolidin-1-yl)pyrazin-2-yl]methyl]propan-1-amine
CID 107380839
1-[5-chloro-2-(3,5-diethylpyrazol-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 114927493
N-[[5-(4-propan-2-ylpiperazin-1-yl)pyrazin-2-yl]methyl]propan-1-amine
CID 107379246
N-[[5-(2,6-dimethylmorpholin-4-yl)pyrazin-2-yl]methyl]propan-1-amine
CID 107378847
N-propyl-5-(propylaminomethyl)pyrazin-2-amine
CID 107380778
N-[[5-(2,2,6-trimethylmorpholin-4-yl)pyrazin-2-yl]methyl]propan-1-amine
CID 107379635
N-[[5-(7,7-dimethyl-1,4-thiazepan-4-yl)pyrazin-2-yl]methyl]propan-1-amine
CID 107459587
N-[[5-(2-methylazepan-1-yl)pyrazin-2-yl]methyl]propan-1-amine
CID 107380366
4-(3,5-diethylpyrazol-1-yl)-5-fluoro-N-propylpyrimidin-2-amine
CID 82699570

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3,5-diethylpyrazol-1-yl)pyrazin-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-(3,5-diethylpyrazol-1-yl)pyrazin-2-yl]methyl]propan-1-amine (CID 107381268) is N-[[5-(3,5-diethylpyrazol-1-yl)pyrazin-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-(3,5-diethylpyrazol-1-yl)pyrazin-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-(3,5-diethylpyrazol-1-yl)pyrazin-2-yl]methyl]propan-1-amine is CCCNCc1cnc(-n2nc(CC)cc2CC)cn1.
What is the InChIKey of N-[[5-(3,5-diethylpyrazol-1-yl)pyrazin-2-yl]methyl]propan-1-amine?
The InChIKey is JQPDXTIDDYRCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5/c1-4-7-16-9-13-10-18-15(11-17-13)20-14(6-3)8-12(5-2)19-20/h8,10-11,16H,4-7,9H2,1-3H3.
What are the key properties of N-[[5-(3,5-diethylpyrazol-1-yl)pyrazin-2-yl]methyl]propan-1-amine?
N-[[5-(3,5-diethylpyrazol-1-yl)pyrazin-2-yl]methyl]propan-1-amine has a molecular weight of 273.38 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3,5-diethylpyrazol-1-yl)pyrazin-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 107381268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).