N-[(1-cyclopentylpyrazol-4-yl)methyl]-N',N'-dimethylpropane-1,3-diamine

C14H26N4 — CID 122166265

IUPACN-[(1-cyclopentylpyrazol-4-yl)methyl]-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCCNCc1cnn(C2CCCC2)c1
InChIInChI=1S/C14H26N4/c1-17(2)9-5-8-15-10-13-11-16-18(12-13)14-6-3-4-7-14/h11-12,14-15H,3-10H2,1-2H3
InChIKeyFGXVZVOGGPGVFE-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.04
Rot. Bonds7

About N-[(1-cyclopentylpyrazol-4-yl)methyl]-N',N'-dimethylpropane-1,3-diamine

N-[(1-cyclopentylpyrazol-4-yl)methyl]-N',N'-dimethylpropane-1,3-diamine (PubChem CID 122166265) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is N-[(1-cyclopentylpyrazol-4-yl)methyl]-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[(1-cyclopentylpyrazol-4-yl)methyl]-N',N'-dimethylpropane-1,3-diamine
PubChem CID122166265
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC NameN-[(1-cyclopentylpyrazol-4-yl)methyl]-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCCNCc1cnn(C2CCCC2)c1
InChIInChI=1S/C14H26N4/c1-17(2)9-5-8-15-10-13-11-16-18(12-13)14-6-3-4-7-14/h11-12,14-15H,3-10H2,1-2H3
InChIKeyFGXVZVOGGPGVFE-UHFFFAOYSA-N
XLogP2.04
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.04
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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Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentylpyrazol-4-yl)methyl]-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-[(1-cyclopentylpyrazol-4-yl)methyl]-N',N'-dimethylpropane-1,3-diamine (CID 122166265) is N-[(1-cyclopentylpyrazol-4-yl)methyl]-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-[(1-cyclopentylpyrazol-4-yl)methyl]-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-[(1-cyclopentylpyrazol-4-yl)methyl]-N',N'-dimethylpropane-1,3-diamine is CN(C)CCCNCc1cnn(C2CCCC2)c1.
What is the InChIKey of N-[(1-cyclopentylpyrazol-4-yl)methyl]-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is FGXVZVOGGPGVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-17(2)9-5-8-15-10-13-11-16-18(12-13)14-6-3-4-7-14/h11-12,14-15H,3-10H2,1-2H3.
What are the key properties of N-[(1-cyclopentylpyrazol-4-yl)methyl]-N',N'-dimethylpropane-1,3-diamine?
N-[(1-cyclopentylpyrazol-4-yl)methyl]-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentylpyrazol-4-yl)methyl]-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 122166265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).