N-[(5-bromo-2-propoxyphenyl)methyl]-1,3,5-trimethylpyrazol-4-amine

C16H22BrN3O — CID 43768809

IUPACN-[(5-bromo-2-propoxyphenyl)methyl]-1,3,5-trimethylpyrazol-4-amine
SMILESCCCOc1ccc(Br)cc1CNc1c(C)nn(C)c1C
InChIInChI=1S/C16H22BrN3O/c1-5-8-21-15-7-6-14(17)9-13(15)10-18-16-11(2)19-20(4)12(16)3/h6-7,9,18H,5,8,10H2,1-4H3
InChIKeyNFJKGQHNKNEHII-UHFFFAOYSA-N
MW352.28 g/mol
LogP4.20
Rot. Bonds6

About N-[(5-bromo-2-propoxyphenyl)methyl]-1,3,5-trimethylpyrazol-4-amine

N-[(5-bromo-2-propoxyphenyl)methyl]-1,3,5-trimethylpyrazol-4-amine (PubChem CID 43768809) has the molecular formula C16H22BrN3O and a molecular weight of 352.28 g/mol. Its IUPAC name is N-[(5-bromo-2-propoxyphenyl)methyl]-1,3,5-trimethylpyrazol-4-amine.

Molecular Properties

Compound NameN-[(5-bromo-2-propoxyphenyl)methyl]-1,3,5-trimethylpyrazol-4-amine
PubChem CID43768809
Molecular FormulaC16H22BrN3O
Molecular Weight352.28 g/mol
Exact Mass351.09
IUPAC NameN-[(5-bromo-2-propoxyphenyl)methyl]-1,3,5-trimethylpyrazol-4-amine
SMILESCCCOc1ccc(Br)cc1CNc1c(C)nn(C)c1C
InChIInChI=1S/C16H22BrN3O/c1-5-8-21-15-7-6-14(17)9-13(15)10-18-16-11(2)19-20(4)12(16)3/h6-7,9,18H,5,8,10H2,1-4H3
InChIKeyNFJKGQHNKNEHII-UHFFFAOYSA-N
XLogP4.20
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.28
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-bromo-2-propoxyphenyl)methyl]-2,6-dichloroaniline
CID 65468190
N-[(5-bromo-2-propoxyphenyl)methyl]-4-methylaniline
CID 43765740
1-(5-bromo-2-propoxyphenyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 103884481
N-[(5-bromo-2-propoxyphenyl)methyl]-2-chloro-6-methylaniline
CID 66253441
N-[(5-bromo-2-propoxyphenyl)methyl]-2-methylaniline
CID 43766070
2-bromo-N-[(5-bromo-2-propoxyphenyl)methyl]-6-fluoroaniline
CID 107597890
1-(5-bromo-2-propoxyphenyl)-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 63237378
4-bromo-N-[(5-bromo-2-propoxyphenyl)methyl]-2-fluoroaniline
CID 43759707
1-(5-bromo-2-propoxyphenyl)-N-methoxymethanamine
CID 82706232
N-[(4-bromophenyl)methyl]-1,3,5-trimethylpyrazol-4-amine
CID 28664301
N-[(5-bromo-2-propoxyphenyl)methyl]propan-2-amine
CID 29224796
N-[(5-bromo-2-propoxyphenyl)methyl]-4-iodo-2-methylaniline
CID 43785187

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-propoxyphenyl)methyl]-1,3,5-trimethylpyrazol-4-amine?
The IUPAC name of N-[(5-bromo-2-propoxyphenyl)methyl]-1,3,5-trimethylpyrazol-4-amine (CID 43768809) is N-[(5-bromo-2-propoxyphenyl)methyl]-1,3,5-trimethylpyrazol-4-amine.
What is the SMILES notation for N-[(5-bromo-2-propoxyphenyl)methyl]-1,3,5-trimethylpyrazol-4-amine?
The canonical SMILES for N-[(5-bromo-2-propoxyphenyl)methyl]-1,3,5-trimethylpyrazol-4-amine is CCCOc1ccc(Br)cc1CNc1c(C)nn(C)c1C.
What is the InChIKey of N-[(5-bromo-2-propoxyphenyl)methyl]-1,3,5-trimethylpyrazol-4-amine?
The InChIKey is NFJKGQHNKNEHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN3O/c1-5-8-21-15-7-6-14(17)9-13(15)10-18-16-11(2)19-20(4)12(16)3/h6-7,9,18H,5,8,10H2,1-4H3.
What are the key properties of N-[(5-bromo-2-propoxyphenyl)methyl]-1,3,5-trimethylpyrazol-4-amine?
N-[(5-bromo-2-propoxyphenyl)methyl]-1,3,5-trimethylpyrazol-4-amine has a molecular weight of 352.28 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-propoxyphenyl)methyl]-1,3,5-trimethylpyrazol-4-amine is sourced from PubChem (CID 43768809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).