1-(4-bromo-1-methylpyrazol-5-yl)-N',N'-diethyl-N-methylpropane-1,3-diamine

C12H23BrN4 — CID 114657146

IUPAC1-(4-bromo-1-methylpyrazol-5-yl)-N',N'-diethyl-N-methylpropane-1,3-diamine
SMILESCCN(CC)CCC(NC)c1c(Br)cnn1C
InChIInChI=1S/C12H23BrN4/c1-5-17(6-2)8-7-11(14-3)12-10(13)9-15-16(12)4/h9,11,14H,5-8H2,1-4H3
InChIKeyDVCRAGSNIILJPW-UHFFFAOYSA-N
MW303.25 g/mol
LogP2.17
Rot. Bonds7

About 1-(4-bromo-1-methylpyrazol-5-yl)-N',N'-diethyl-N-methylpropane-1,3-diamine

1-(4-bromo-1-methylpyrazol-5-yl)-N',N'-diethyl-N-methylpropane-1,3-diamine (PubChem CID 114657146) has the molecular formula C12H23BrN4 and a molecular weight of 303.25 g/mol. Its IUPAC name is 1-(4-bromo-1-methylpyrazol-5-yl)-N',N'-diethyl-N-methylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(4-bromo-1-methylpyrazol-5-yl)-N',N'-diethyl-N-methylpropane-1,3-diamine
PubChem CID114657146
Molecular FormulaC12H23BrN4
Molecular Weight303.25 g/mol
Exact Mass302.11
IUPAC Name1-(4-bromo-1-methylpyrazol-5-yl)-N',N'-diethyl-N-methylpropane-1,3-diamine
SMILESCCN(CC)CCC(NC)c1c(Br)cnn1C
InChIInChI=1S/C12H23BrN4/c1-5-17(6-2)8-7-11(14-3)12-10(13)9-15-16(12)4/h9,11,14H,5-8H2,1-4H3
InChIKeyDVCRAGSNIILJPW-UHFFFAOYSA-N
XLogP2.17
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.25
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromo-1-methylpyrazol-5-yl)-N-methylpropan-1-amine
CID 83840801
1-(4-bromo-1-methylpyrazol-5-yl)-4,4,4-trifluoro-N-methylbutan-1-amine
CID 114657995
1-(4-bromo-1-methylpyrazol-5-yl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine
CID 114659492
3-(4-bromo-1-ethylpyrazol-5-yl)-N,N-diethyl-3-hydrazinylpropan-1-amine
CID 105244143
1-(4-bromo-1-methylpyrazol-5-yl)butylhydrazine
CID 105202210
1-(4-bromo-1-methylpyrazol-5-yl)-3-methoxy-N,3-dimethylbutan-1-amine
CID 103029500
1-(4-bromo-1-methylpyrazol-5-yl)-N-propylbutan-1-amine
CID 114647947
1-(4-bromo-1-methylpyrazol-5-yl)-2-(3,5-dimethylphenyl)-N-methylethanamine
CID 114649591
N,N-diethyl-3-hydrazinyl-3-(4-methoxy-1-methylpyrazol-5-yl)propan-1-amine
CID 105244142
1-(4-bromo-1-methylpyrazol-5-yl)-N',N'-dimethylpropane-1,3-diamine
CID 114659465
1-(4-bromo-1-methylpyrazol-5-yl)-N-ethylpentan-1-amine
CID 114657465
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-3-(diethylamino)propan-1-ol
CID 114644599

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-methylpyrazol-5-yl)-N',N'-diethyl-N-methylpropane-1,3-diamine?
The IUPAC name of 1-(4-bromo-1-methylpyrazol-5-yl)-N',N'-diethyl-N-methylpropane-1,3-diamine (CID 114657146) is 1-(4-bromo-1-methylpyrazol-5-yl)-N',N'-diethyl-N-methylpropane-1,3-diamine.
What is the SMILES notation for 1-(4-bromo-1-methylpyrazol-5-yl)-N',N'-diethyl-N-methylpropane-1,3-diamine?
The canonical SMILES for 1-(4-bromo-1-methylpyrazol-5-yl)-N',N'-diethyl-N-methylpropane-1,3-diamine is CCN(CC)CCC(NC)c1c(Br)cnn1C.
What is the InChIKey of 1-(4-bromo-1-methylpyrazol-5-yl)-N',N'-diethyl-N-methylpropane-1,3-diamine?
The InChIKey is DVCRAGSNIILJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23BrN4/c1-5-17(6-2)8-7-11(14-3)12-10(13)9-15-16(12)4/h9,11,14H,5-8H2,1-4H3.
What are the key properties of 1-(4-bromo-1-methylpyrazol-5-yl)-N',N'-diethyl-N-methylpropane-1,3-diamine?
1-(4-bromo-1-methylpyrazol-5-yl)-N',N'-diethyl-N-methylpropane-1,3-diamine has a molecular weight of 303.25 g/mol, XLogP of 2.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-methylpyrazol-5-yl)-N',N'-diethyl-N-methylpropane-1,3-diamine is sourced from PubChem (CID 114657146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).