N',N'-diethyl-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]propane-1,3-diamine

C15H30N4 — CID 122166208

IUPACN',N'-diethyl-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]propane-1,3-diamine
SMILESCCN(CC)CCCNCc1cnn(CC(C)C)c1
InChIInChI=1S/C15H30N4/c1-5-18(6-2)9-7-8-16-10-15-11-17-19(13-15)12-14(3)4/h11,13-14,16H,5-10,12H2,1-4H3
InChIKeyAXWRQXLBWNNWBV-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.36
Rot. Bonds10

About N',N'-diethyl-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]propane-1,3-diamine

N',N'-diethyl-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]propane-1,3-diamine (PubChem CID 122166208) has the molecular formula C15H30N4 and a molecular weight of 266.43 g/mol. Its IUPAC name is N',N'-diethyl-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]propane-1,3-diamine
PubChem CID122166208
Molecular FormulaC15H30N4
Molecular Weight266.43 g/mol
Exact Mass266.25
IUPAC NameN',N'-diethyl-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]propane-1,3-diamine
SMILESCCN(CC)CCCNCc1cnn(CC(C)C)c1
InChIInChI=1S/C15H30N4/c1-5-18(6-2)9-7-8-16-10-15-11-17-19(13-15)12-14(3)4/h11,13-14,16H,5-10,12H2,1-4H3
InChIKeyAXWRQXLBWNNWBV-UHFFFAOYSA-N
XLogP2.36
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.36
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-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-N',N'-diethylpropane-1,3-diamine
CID 122166252
N',N'-diethyl-N-[(1-propylpyrazol-4-yl)methyl]propane-1,3-diamine
CID 103673607
N',N'-diethyl-N-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine
CID 28600418
3-ethoxy-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]propan-1-amine
CID 122166200
3-methoxy-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]propan-1-amine;hydrochloride
CID 126966892
N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1-[1-(2-methylpropyl)pyrazol-4-yl]methanamine
CID 122167670
N-[(1-ethylpyrazol-4-yl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 62126512
N-[[1-(2-methylpentyl)pyrazol-4-yl]methyl]propan-1-amine
CID 62731753
N,N-dimethyl-4-[[[1-(2-methylpropyl)pyrazol-4-yl]methylamino]methyl]aniline;dihydrochloride
CID 126968221
N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]heptan-1-amine;hydrochloride
CID 126967924
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-[1-(2-methylpropyl)pyrazol-4-yl]methanamine
CID 122166655
N-[[1-(2-methylbutyl)pyrazol-4-yl]methyl]ethanamine
CID 62730479

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]propane-1,3-diamine?
The IUPAC name of N',N'-diethyl-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]propane-1,3-diamine (CID 122166208) is N',N'-diethyl-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]propane-1,3-diamine.
What is the SMILES notation for N',N'-diethyl-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]propane-1,3-diamine?
The canonical SMILES for N',N'-diethyl-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]propane-1,3-diamine is CCN(CC)CCCNCc1cnn(CC(C)C)c1.
What is the InChIKey of N',N'-diethyl-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]propane-1,3-diamine?
The InChIKey is AXWRQXLBWNNWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4/c1-5-18(6-2)9-7-8-16-10-15-11-17-19(13-15)12-14(3)4/h11,13-14,16H,5-10,12H2,1-4H3.
What are the key properties of N',N'-diethyl-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]propane-1,3-diamine?
N',N'-diethyl-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]propane-1,3-diamine has a molecular weight of 266.43 g/mol, XLogP of 2.36, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]propane-1,3-diamine is sourced from PubChem (CID 122166208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).