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

C13H16BrN3 — CID 28664301

IUPACN-[(4-bromophenyl)methyl]-1,3,5-trimethylpyrazol-4-amine
SMILESCc1nn(C)c(C)c1NCc1ccc(Br)cc1
InChIInChI=1S/C13H16BrN3/c1-9-13(10(2)17(3)16-9)15-8-11-4-6-12(14)7-5-11/h4-7,15H,8H2,1-3H3
InChIKeyRKZYZLYDWOYPBI-UHFFFAOYSA-N
MW294.20 g/mol
LogP3.41
Rot. Bonds3

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

N-[(4-bromophenyl)methyl]-1,3,5-trimethylpyrazol-4-amine (PubChem CID 28664301) has the molecular formula C13H16BrN3 and a molecular weight of 294.20 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-1,3,5-trimethylpyrazol-4-amine.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-1,3,5-trimethylpyrazol-4-amine
PubChem CID28664301
Molecular FormulaC13H16BrN3
Molecular Weight294.20 g/mol
Exact Mass293.05
IUPAC NameN-[(4-bromophenyl)methyl]-1,3,5-trimethylpyrazol-4-amine
SMILESCc1nn(C)c(C)c1NCc1ccc(Br)cc1
InChIInChI=1S/C13H16BrN3/c1-9-13(10(2)17(3)16-9)15-8-11-4-6-12(14)7-5-11/h4-7,15H,8H2,1-3H3
InChIKeyRKZYZLYDWOYPBI-UHFFFAOYSA-N
XLogP3.41
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.20
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluorophenyl)methyl]-1,3,5-trimethylpyrazol-4-amine
CID 28664304
N-[(4-tert-butylphenyl)methyl]-1,3,5-trimethylpyrazol-4-amine
CID 28554082
N-[[4-(diethylamino)phenyl]methyl]-1,3,5-trimethylpyrazol-4-amine
CID 28664920
N-[(4-ethoxyphenyl)methyl]-1,3,5-trimethylpyrazol-4-amine
CID 28664320
1,3,5-trimethyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyrazol-4-amine
CID 43768843
N-[(3,4-difluorophenyl)methyl]-1,3,5-trimethylpyrazol-4-amine
CID 28664340
methyl 4-[[(1,3,5-trimethylpyrazol-4-yl)amino]methyl]benzoate
CID 28664573
N-[(4-bromo-3-nitrophenyl)methyl]-1,3,5-trimethylpyrazol-4-amine
CID 43768838
2-[4-[[(1,3,5-trimethylpyrazol-4-yl)amino]methyl]phenoxy]acetamide
CID 28664404
N-[(3-fluorophenyl)methyl]-1,3,5-trimethylpyrazol-4-amine
CID 28664321
N-[(4-bromo-2-nitrophenyl)methyl]-1,3,5-trimethylpyrazol-4-amine
CID 114385543
2-methoxy-4-[[(1,3,5-trimethylpyrazol-4-yl)amino]methyl]phenol
CID 28664303

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-1,3,5-trimethylpyrazol-4-amine?
The IUPAC name of N-[(4-bromophenyl)methyl]-1,3,5-trimethylpyrazol-4-amine (CID 28664301) is N-[(4-bromophenyl)methyl]-1,3,5-trimethylpyrazol-4-amine.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-1,3,5-trimethylpyrazol-4-amine?
The canonical SMILES for N-[(4-bromophenyl)methyl]-1,3,5-trimethylpyrazol-4-amine is Cc1nn(C)c(C)c1NCc1ccc(Br)cc1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-1,3,5-trimethylpyrazol-4-amine?
The InChIKey is RKZYZLYDWOYPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3/c1-9-13(10(2)17(3)16-9)15-8-11-4-6-12(14)7-5-11/h4-7,15H,8H2,1-3H3.
What are the key properties of N-[(4-bromophenyl)methyl]-1,3,5-trimethylpyrazol-4-amine?
N-[(4-bromophenyl)methyl]-1,3,5-trimethylpyrazol-4-amine has a molecular weight of 294.20 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-1,3,5-trimethylpyrazol-4-amine is sourced from PubChem (CID 28664301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).