N'-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine

C15H29BrN4 — CID 79667456

IUPACN'-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine
SMILESCCc1nn(CC)c(CN(CC)CC(C)(C)CN)c1Br
InChIInChI=1S/C15H29BrN4/c1-6-12-14(16)13(20(8-3)18-12)9-19(7-2)11-15(4,5)10-17/h6-11,17H2,1-5H3
InChIKeyYFOPWCQRYUREKB-UHFFFAOYSA-N
MW345.33 g/mol
LogP3.03
Rot. Bonds8

About N'-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine

N'-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine (PubChem CID 79667456) has the molecular formula C15H29BrN4 and a molecular weight of 345.33 g/mol. Its IUPAC name is N'-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine
PubChem CID79667456
Molecular FormulaC15H29BrN4
Molecular Weight345.33 g/mol
Exact Mass344.16
IUPAC NameN'-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine
SMILESCCc1nn(CC)c(CN(CC)CC(C)(C)CN)c1Br
InChIInChI=1S/C15H29BrN4/c1-6-12-14(16)13(20(8-3)18-12)9-19(7-2)11-15(4,5)10-17/h6-11,17H2,1-5H3
InChIKeyYFOPWCQRYUREKB-UHFFFAOYSA-N
XLogP3.03
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.33
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine
CID 79661884
2-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484847
4-bromo-5-[3-chloro-2-(chloromethyl)-2-methylpropyl]-1,3-diethylpyrazole
CID 79448216
2-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl-[2-(dimethylamino)ethyl]amino]acetic acid
CID 107425804
N-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-N-methyl-1-methylsulfanylpropan-2-amine
CID 112663836
3-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl-methylamino]propan-1-ol
CID 114230746
N-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-2,3,3-trimethylbutan-1-amine
CID 83142524
1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]cyclooctan-1-amine
CID 80603664
3-(4-bromo-1,3-diethylpyrazol-5-yl)-2-fluoro-2-phenylpropan-1-amine
CID 115918105
1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-ethoxy-3-methylbutan-2-amine
CID 116726183
[2-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]cycloheptyl]methanamine
CID 81011059
2-[(4-bromo-1,3-diethylpyrazol-5-yl)methylsulfonyl]ethanamine
CID 81176258

Frequently Asked Questions

What is the IUPAC name of N'-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine?
The IUPAC name of N'-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine (CID 79667456) is N'-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine.
What is the SMILES notation for N'-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine?
The canonical SMILES for N'-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine is CCc1nn(CC)c(CN(CC)CC(C)(C)CN)c1Br.
What is the InChIKey of N'-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine?
The InChIKey is YFOPWCQRYUREKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29BrN4/c1-6-12-14(16)13(20(8-3)18-12)9-19(7-2)11-15(4,5)10-17/h6-11,17H2,1-5H3.
What are the key properties of N'-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine?
N'-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine has a molecular weight of 345.33 g/mol, XLogP of 3.03, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine is sourced from PubChem (CID 79667456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).