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

C14H25N7 — CID 107053736

IUPACN-[[3,5-diethyl-1-[(2-methyltetrazol-5-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1c(CC)nn(Cc2nnn(C)n2)c1CC
InChIInChI=1S/C14H25N7/c1-5-8-15-9-11-12(6-2)17-21(13(11)7-3)10-14-16-19-20(4)18-14/h15H,5-10H2,1-4H3
InChIKeyJADCQWPVHUHZPF-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.08
Rot. Bonds8

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

N-[[3,5-diethyl-1-[(2-methyltetrazol-5-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine (PubChem CID 107053736) has the molecular formula C14H25N7 and a molecular weight of 291.40 g/mol. Its IUPAC name is N-[[3,5-diethyl-1-[(2-methyltetrazol-5-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3,5-diethyl-1-[(2-methyltetrazol-5-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine
PubChem CID107053736
Molecular FormulaC14H25N7
Molecular Weight291.40 g/mol
Exact Mass291.22
IUPAC NameN-[[3,5-diethyl-1-[(2-methyltetrazol-5-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1c(CC)nn(Cc2nnn(C)n2)c1CC
InChIInChI=1S/C14H25N7/c1-5-8-15-9-11-12(6-2)17-21(13(11)7-3)10-14-16-19-20(4)18-14/h15H,5-10H2,1-4H3
InChIKeyJADCQWPVHUHZPF-UHFFFAOYSA-N
XLogP1.08
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-[2-(dimethylamino)ethyl]-3,5-diethylpyrazol-4-yl]methyl]propan-1-amine
CID 107431118
N-[[3,5-diethyl-1-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine
CID 82700301
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-[[2-[(2-methyltetrazol-5-yl)methyl]pyrazol-3-yl]methyl]propan-1-amine
CID 107054678
N-[[3,5-diethyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrazol-4-yl]methyl]propan-1-amine
CID 116617998
N-[[1-(cyclopentylmethyl)-3,5-diethylpyrazol-4-yl]methyl]propan-1-amine
CID 82697542
N-[(3,5-diethyl-1-pyrazin-2-ylpyrazol-4-yl)methyl]propan-1-amine
CID 107431163
N-[[3,5-diethyl-1-(3-fluoropropyl)pyrazol-4-yl]methyl]ethanamine
CID 82697029
2-[(2-methyltetrazol-5-yl)methyl]-5-(propylamino)pyridazin-3-one
CID 107067014
N-[[3,5-diethyl-1-[(4-iodophenyl)methyl]pyrazol-4-yl]methyl]ethanamine
CID 82700027
N-[[3,5-diethyl-1-(3-methylbutyl)pyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 82698283

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-diethyl-1-[(2-methyltetrazol-5-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[3,5-diethyl-1-[(2-methyltetrazol-5-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine (CID 107053736) is N-[[3,5-diethyl-1-[(2-methyltetrazol-5-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3,5-diethyl-1-[(2-methyltetrazol-5-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[3,5-diethyl-1-[(2-methyltetrazol-5-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine is CCCNCc1c(CC)nn(Cc2nnn(C)n2)c1CC.
What is the InChIKey of N-[[3,5-diethyl-1-[(2-methyltetrazol-5-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine?
The InChIKey is JADCQWPVHUHZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N7/c1-5-8-15-9-11-12(6-2)17-21(13(11)7-3)10-14-16-19-20(4)18-14/h15H,5-10H2,1-4H3.
What are the key properties of N-[[3,5-diethyl-1-[(2-methyltetrazol-5-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine?
N-[[3,5-diethyl-1-[(2-methyltetrazol-5-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine has a molecular weight of 291.40 g/mol, XLogP of 1.08, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-diethyl-1-[(2-methyltetrazol-5-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 107053736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).