N',N'-diethyl-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]propane-1,3-diamine

C14H28N4 — CID 122166054

IUPACN',N'-diethyl-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]propane-1,3-diamine
SMILESCCN(CC)CCCNCc1cn(CC)nc1C
InChIInChI=1S/C14H28N4/c1-5-17(6-2)10-8-9-15-11-14-12-18(7-3)16-13(14)4/h12,15H,5-11H2,1-4H3
InChIKeyCGJBFXZMAPLFGM-UHFFFAOYSA-N
MW252.41 g/mol
LogP2.03
Rot. Bonds9

About N',N'-diethyl-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]propane-1,3-diamine

N',N'-diethyl-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]propane-1,3-diamine (PubChem CID 122166054) has the molecular formula C14H28N4 and a molecular weight of 252.41 g/mol. Its IUPAC name is N',N'-diethyl-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]propane-1,3-diamine
PubChem CID122166054
Molecular FormulaC14H28N4
Molecular Weight252.41 g/mol
Exact Mass252.23
IUPAC NameN',N'-diethyl-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]propane-1,3-diamine
SMILESCCN(CC)CCCNCc1cn(CC)nc1C
InChIInChI=1S/C14H28N4/c1-5-17(6-2)10-8-9-15-11-14-12-18(7-3)16-13(14)4/h12,15H,5-11H2,1-4H3
InChIKeyCGJBFXZMAPLFGM-UHFFFAOYSA-N
XLogP2.03
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 52.03
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-[(1,3-dimethylpyrazol-4-yl)methyl]-N',N'-diethylpropane-1,3-diamine;dihydrochloride
CID 126964368
1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]methanamine;hydrochloride
CID 126965255
N',N'-diethyl-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]ethane-1,2-diamine;dihydrochloride
CID 126966604
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-phenylmethanamine;hydrochloride
CID 126963926
1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-propylthiourea
CID 19324952
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-phenylpropan-1-amine
CID 19626564
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanamine
CID 122167165
N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-1-(1-ethyl-3-methylpyrazol-4-yl)methanamine
CID 122169172
3-(1-ethyl-3-methylpyrazol-4-yl)propan-1-ol
CID 23006051
N',N'-diethyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)propane-1,3-diamine
CID 63311956
N'-[(1,3-dimethylpyrazol-4-yl)methyl]-N-ethylpropane-1,3-diamine
CID 102801492
N',N'-diethyl-N-[(1-propylpyrazol-4-yl)methyl]propane-1,3-diamine
CID 103673607

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]propane-1,3-diamine?
The IUPAC name of N',N'-diethyl-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]propane-1,3-diamine (CID 122166054) is N',N'-diethyl-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]propane-1,3-diamine.
What is the SMILES notation for N',N'-diethyl-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]propane-1,3-diamine?
The canonical SMILES for N',N'-diethyl-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]propane-1,3-diamine is CCN(CC)CCCNCc1cn(CC)nc1C.
What is the InChIKey of N',N'-diethyl-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]propane-1,3-diamine?
The InChIKey is CGJBFXZMAPLFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4/c1-5-17(6-2)10-8-9-15-11-14-12-18(7-3)16-13(14)4/h12,15H,5-11H2,1-4H3.
What are the key properties of N',N'-diethyl-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]propane-1,3-diamine?
N',N'-diethyl-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]propane-1,3-diamine has a molecular weight of 252.41 g/mol, XLogP of 2.03, 9 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-ethyl-3-methylpyrazol-4-yl)methyl]propane-1,3-diamine is sourced from PubChem (CID 122166054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).