N-[(3-bromophenyl)methyl]-4-(ethylaminomethyl)-N,1,3-trimethylpyrazol-5-amine

C16H23BrN4 — CID 61416689

IUPACN-[(3-bromophenyl)methyl]-4-(ethylaminomethyl)-N,1,3-trimethylpyrazol-5-amine
SMILESCCNCc1c(C)nn(C)c1N(C)Cc1cccc(Br)c1
InChIInChI=1S/C16H23BrN4/c1-5-18-10-15-12(2)19-21(4)16(15)20(3)11-13-7-6-8-14(17)9-13/h6-9,18H,5,10-11H2,1-4H3
InChIKeyGTNJRMXTJWGVOK-UHFFFAOYSA-N
MW351.29 g/mol
LogP3.24
Rot. Bonds6

About N-[(3-bromophenyl)methyl]-4-(ethylaminomethyl)-N,1,3-trimethylpyrazol-5-amine

N-[(3-bromophenyl)methyl]-4-(ethylaminomethyl)-N,1,3-trimethylpyrazol-5-amine (PubChem CID 61416689) has the molecular formula C16H23BrN4 and a molecular weight of 351.29 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-4-(ethylaminomethyl)-N,1,3-trimethylpyrazol-5-amine.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-4-(ethylaminomethyl)-N,1,3-trimethylpyrazol-5-amine
PubChem CID61416689
Molecular FormulaC16H23BrN4
Molecular Weight351.29 g/mol
Exact Mass350.11
IUPAC NameN-[(3-bromophenyl)methyl]-4-(ethylaminomethyl)-N,1,3-trimethylpyrazol-5-amine
SMILESCCNCc1c(C)nn(C)c1N(C)Cc1cccc(Br)c1
InChIInChI=1S/C16H23BrN4/c1-5-18-10-15-12(2)19-21(4)16(15)20(3)11-13-7-6-8-14(17)9-13/h6-9,18H,5,10-11H2,1-4H3
InChIKeyGTNJRMXTJWGVOK-UHFFFAOYSA-N
XLogP3.24
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.29
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]ethanol
CID 60960906
4-(ethylaminomethyl)-N,1,3-trimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazol-5-amine
CID 63837144
N-[(3-bromophenyl)methyl]-2-chloro-4-(ethylaminomethyl)-N-methylaniline
CID 81148254
N-(furan-3-ylmethyl)-N,1,3-trimethyl-4-(propylaminomethyl)pyrazol-5-amine
CID 61422603
4-(ethylaminomethyl)-N,1,3-trimethyl-N-(2-methylsulfonylethyl)pyrazol-5-amine
CID 79850033
N,N-diethyl-2-[[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]acetamide
CID 61452073
3-[[[4-(chloromethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]methyl]benzonitrile
CID 62980819
4-(2-aminoethyl)-N-benzyl-N,1,3-trimethylpyrazol-5-amine
CID 63784911
N-(furan-3-ylmethyl)-N,1,3-trimethyl-4-(methylaminomethyl)pyrazol-5-amine
CID 61422601
4-(ethylaminomethyl)-N,1,3-trimethyl-N-[(1-methylpiperidin-4-yl)methyl]pyrazol-5-amine
CID 63236600
N,N,1,3-tetramethyl-4-[[[3-(pyrrolidin-1-ylmethyl)phenyl]methylamino]methyl]pyrazol-5-amine
CID 51104874
N-[[5-[[(3-bromophenyl)methyl-methylamino]methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 62463600

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-4-(ethylaminomethyl)-N,1,3-trimethylpyrazol-5-amine?
The IUPAC name of N-[(3-bromophenyl)methyl]-4-(ethylaminomethyl)-N,1,3-trimethylpyrazol-5-amine (CID 61416689) is N-[(3-bromophenyl)methyl]-4-(ethylaminomethyl)-N,1,3-trimethylpyrazol-5-amine.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-4-(ethylaminomethyl)-N,1,3-trimethylpyrazol-5-amine?
The canonical SMILES for N-[(3-bromophenyl)methyl]-4-(ethylaminomethyl)-N,1,3-trimethylpyrazol-5-amine is CCNCc1c(C)nn(C)c1N(C)Cc1cccc(Br)c1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-4-(ethylaminomethyl)-N,1,3-trimethylpyrazol-5-amine?
The InChIKey is GTNJRMXTJWGVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN4/c1-5-18-10-15-12(2)19-21(4)16(15)20(3)11-13-7-6-8-14(17)9-13/h6-9,18H,5,10-11H2,1-4H3.
What are the key properties of N-[(3-bromophenyl)methyl]-4-(ethylaminomethyl)-N,1,3-trimethylpyrazol-5-amine?
N-[(3-bromophenyl)methyl]-4-(ethylaminomethyl)-N,1,3-trimethylpyrazol-5-amine has a molecular weight of 351.29 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-4-(ethylaminomethyl)-N,1,3-trimethylpyrazol-5-amine is sourced from PubChem (CID 61416689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).