N-[(3,5-diethyl-1-pyrazin-2-ylpyrazol-4-yl)methyl]propan-1-amine

C15H23N5 — CID 107431163

IUPACN-[(3,5-diethyl-1-pyrazin-2-ylpyrazol-4-yl)methyl]propan-1-amine
SMILESCCCNCc1c(CC)nn(-c2cnccn2)c1CC
InChIInChI=1S/C15H23N5/c1-4-7-16-10-12-13(5-2)19-20(14(12)6-3)15-11-17-8-9-18-15/h8-9,11,16H,4-7,10H2,1-3H3
InChIKeyMJBYZAFUNRHERK-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.29
Rot. Bonds7

About N-[(3,5-diethyl-1-pyrazin-2-ylpyrazol-4-yl)methyl]propan-1-amine

N-[(3,5-diethyl-1-pyrazin-2-ylpyrazol-4-yl)methyl]propan-1-amine (PubChem CID 107431163) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[(3,5-diethyl-1-pyrazin-2-ylpyrazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3,5-diethyl-1-pyrazin-2-ylpyrazol-4-yl)methyl]propan-1-amine
PubChem CID107431163
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC NameN-[(3,5-diethyl-1-pyrazin-2-ylpyrazol-4-yl)methyl]propan-1-amine
SMILESCCCNCc1c(CC)nn(-c2cnccn2)c1CC
InChIInChI=1S/C15H23N5/c1-4-7-16-10-12-13(5-2)19-20(14(12)6-3)15-11-17-8-9-18-15/h8-9,11,16H,4-7,10H2,1-3H3
InChIKeyMJBYZAFUNRHERK-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-[(3,5-diethyl-1-pyrazin-2-ylpyrazol-4-yl)methyl]cyclopropanamine
CID 107431162
N-[[1-(2-chlorophenyl)-3,5-diethylpyrazol-4-yl]methyl]propan-1-amine
CID 107431053
N-[[3,5-diethyl-1-(3,3,3-trifluoropropyl)pyrazol-4-yl]methyl]propan-1-amine
CID 82697464
N-[[3,5-diethyl-1-(2-ethylbutyl)pyrazol-4-yl]methyl]propan-1-amine
CID 82924251
N-[[1-[2-(dimethylamino)ethyl]-3,5-diethylpyrazol-4-yl]methyl]propan-1-amine
CID 107431118
N-[2-(3,5-diethyl-1-pyridazin-3-ylpyrazol-4-yl)ethyl]propan-1-amine
CID 103294605
N-[[3,5-diethyl-1-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine
CID 82700301
N-[[1-(cyclopentylmethyl)-3,5-diethylpyrazol-4-yl]methyl]propan-1-amine
CID 82697542
N-[[3,5-diethyl-1-[(2-methyltetrazol-5-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine
CID 107053736
1-(3,5-diethyl-1-pyridin-4-ylpyrazol-4-yl)-N-methylmethanamine
CID 107431079
N-[[1-(3,5-dimethylphenyl)-3,5-diethylpyrazol-4-yl]methyl]ethanamine
CID 107431063
N-propyl-3-(1-pyrazin-2-ylpyrazol-4-yl)propan-1-amine
CID 81041509

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-diethyl-1-pyrazin-2-ylpyrazol-4-yl)methyl]propan-1-amine?
The IUPAC name of N-[(3,5-diethyl-1-pyrazin-2-ylpyrazol-4-yl)methyl]propan-1-amine (CID 107431163) is N-[(3,5-diethyl-1-pyrazin-2-ylpyrazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3,5-diethyl-1-pyrazin-2-ylpyrazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(3,5-diethyl-1-pyrazin-2-ylpyrazol-4-yl)methyl]propan-1-amine is CCCNCc1c(CC)nn(-c2cnccn2)c1CC.
What is the InChIKey of N-[(3,5-diethyl-1-pyrazin-2-ylpyrazol-4-yl)methyl]propan-1-amine?
The InChIKey is MJBYZAFUNRHERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5/c1-4-7-16-10-12-13(5-2)19-20(14(12)6-3)15-11-17-8-9-18-15/h8-9,11,16H,4-7,10H2,1-3H3.
What are the key properties of N-[(3,5-diethyl-1-pyrazin-2-ylpyrazol-4-yl)methyl]propan-1-amine?
N-[(3,5-diethyl-1-pyrazin-2-ylpyrazol-4-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-[(3,5-diethyl-1-pyrazin-2-ylpyrazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 107431163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).