N'-[4-(2-aminoethyl)-1,3-dimethylpyrazol-5-yl]-N,N,N'-triethylpropane-1,3-diamine

C16H33N5 — CID 102998272

IUPACN'-[4-(2-aminoethyl)-1,3-dimethylpyrazol-5-yl]-N,N,N'-triethylpropane-1,3-diamine
SMILESCCN(CC)CCCN(CC)c1c(CCN)c(C)nn1C
InChIInChI=1S/C16H33N5/c1-6-20(7-2)12-9-13-21(8-3)16-15(10-11-17)14(4)18-19(16)5/h6-13,17H2,1-5H3
InChIKeyUEQNTXFCDHCAIW-UHFFFAOYSA-N
MW295.47 g/mol
LogP1.79
Rot. Bonds10

About N'-[4-(2-aminoethyl)-1,3-dimethylpyrazol-5-yl]-N,N,N'-triethylpropane-1,3-diamine

N'-[4-(2-aminoethyl)-1,3-dimethylpyrazol-5-yl]-N,N,N'-triethylpropane-1,3-diamine (PubChem CID 102998272) has the molecular formula C16H33N5 and a molecular weight of 295.47 g/mol. Its IUPAC name is N'-[4-(2-aminoethyl)-1,3-dimethylpyrazol-5-yl]-N,N,N'-triethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[4-(2-aminoethyl)-1,3-dimethylpyrazol-5-yl]-N,N,N'-triethylpropane-1,3-diamine
PubChem CID102998272
Molecular FormulaC16H33N5
Molecular Weight295.47 g/mol
Exact Mass295.27
IUPAC NameN'-[4-(2-aminoethyl)-1,3-dimethylpyrazol-5-yl]-N,N,N'-triethylpropane-1,3-diamine
SMILESCCN(CC)CCCN(CC)c1c(CCN)c(C)nn1C
InChIInChI=1S/C16H33N5/c1-6-20(7-2)12-9-13-21(8-3)16-15(10-11-17)14(4)18-19(16)5/h6-13,17H2,1-5H3
InChIKeyUEQNTXFCDHCAIW-UHFFFAOYSA-N
XLogP1.79
TPSA50.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-aminoethyl)-N-ethyl-N-(2-ethylbutyl)-1,3-dimethylpyrazol-5-amine
CID 55236586
4-(aminomethyl)-N-ethyl-1,3-dimethyl-N-propylpyrazol-5-amine
CID 43268986
4-(2-aminoethyl)-N,1,3-trimethyl-N-(4-methylpentan-2-yl)pyrazol-5-amine
CID 55237561
2-[ethyl-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]amino]ethanol
CID 60981461
5-N-butyl-5-N-ethyl-1,3-dimethylpyrazole-4,5-diamine
CID 43553970
N-butyl-N-ethyl-1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-amine
CID 43280756
4-(2-aminoethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-1,3-dimethylpyrazol-5-amine
CID 63785849
[5-(diethylamino)-1,3-dimethylpyrazol-4-yl]methanol
CID 28963363
4-(2-aminoethyl)-N,1,3-trimethyl-N-[(2-methylcyclopropyl)methyl]pyrazol-5-amine
CID 63865652
2-(1,3,5-trimethylpyrazol-4-yl)ethanamine;hydrochloride
CID 50988502
4-(2-aminoethyl)-N-ethyl-3-methyl-1-phenyl-N-propylpyrazol-5-amine
CID 63783051
N'-ethyl-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 103102216

Frequently Asked Questions

What is the IUPAC name of N'-[4-(2-aminoethyl)-1,3-dimethylpyrazol-5-yl]-N,N,N'-triethylpropane-1,3-diamine?
The IUPAC name of N'-[4-(2-aminoethyl)-1,3-dimethylpyrazol-5-yl]-N,N,N'-triethylpropane-1,3-diamine (CID 102998272) is N'-[4-(2-aminoethyl)-1,3-dimethylpyrazol-5-yl]-N,N,N'-triethylpropane-1,3-diamine.
What is the SMILES notation for N'-[4-(2-aminoethyl)-1,3-dimethylpyrazol-5-yl]-N,N,N'-triethylpropane-1,3-diamine?
The canonical SMILES for N'-[4-(2-aminoethyl)-1,3-dimethylpyrazol-5-yl]-N,N,N'-triethylpropane-1,3-diamine is CCN(CC)CCCN(CC)c1c(CCN)c(C)nn1C.
What is the InChIKey of N'-[4-(2-aminoethyl)-1,3-dimethylpyrazol-5-yl]-N,N,N'-triethylpropane-1,3-diamine?
The InChIKey is UEQNTXFCDHCAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N5/c1-6-20(7-2)12-9-13-21(8-3)16-15(10-11-17)14(4)18-19(16)5/h6-13,17H2,1-5H3.
What are the key properties of N'-[4-(2-aminoethyl)-1,3-dimethylpyrazol-5-yl]-N,N,N'-triethylpropane-1,3-diamine?
N'-[4-(2-aminoethyl)-1,3-dimethylpyrazol-5-yl]-N,N,N'-triethylpropane-1,3-diamine has a molecular weight of 295.47 g/mol, XLogP of 1.79, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(2-aminoethyl)-1,3-dimethylpyrazol-5-yl]-N,N,N'-triethylpropane-1,3-diamine is sourced from PubChem (CID 102998272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).