1-[4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-chlorophenyl]-N-methylmethanamine

C13H15BrClN3 — CID 114064766

IUPAC1-[4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-chlorophenyl]-N-methylmethanamine
SMILESCNCc1ccc(-n2nc(C)c(Br)c2C)cc1Cl
InChIInChI=1S/C13H15BrClN3/c1-8-13(14)9(2)18(17-8)11-5-4-10(7-16-3)12(15)6-11/h4-6,16H,7H2,1-3H3
InChIKeyGINMVFYBQLDGSG-UHFFFAOYSA-N
MW328.64 g/mol
LogP3.62
Rot. Bonds3

About 1-[4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-chlorophenyl]-N-methylmethanamine

1-[4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-chlorophenyl]-N-methylmethanamine (PubChem CID 114064766) has the molecular formula C13H15BrClN3 and a molecular weight of 328.64 g/mol. Its IUPAC name is 1-[4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-chlorophenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-chlorophenyl]-N-methylmethanamine
PubChem CID114064766
Molecular FormulaC13H15BrClN3
Molecular Weight328.64 g/mol
Exact Mass327.01
IUPAC Name1-[4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-chlorophenyl]-N-methylmethanamine
SMILESCNCc1ccc(-n2nc(C)c(Br)c2C)cc1Cl
InChIInChI=1S/C13H15BrClN3/c1-8-13(14)9(2)18(17-8)11-5-4-10(7-16-3)12(15)6-11/h4-6,16H,7H2,1-3H3
InChIKeyGINMVFYBQLDGSG-UHFFFAOYSA-N
XLogP3.62
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.64
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)quinolin-3-yl]-N-methylmethanamine
CID 62128738
1-[4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methylphenyl]propan-2-amine
CID 63814999
2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine
CID 79220516
4-bromo-1-[5-chloro-2-(chloromethyl)phenyl]-3,5-dimethylpyrazole
CID 114846880
1-[2-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]-N-methylmethanamine
CID 62446745
N-[[4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 62293574
1-[1-(3-bromophenyl)-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine
CID 61270772
1-[4-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-chlorophenyl]propan-2-amine
CID 81165729
1-(2,4-dichlorophenyl)-N-methylmethanamine;ethane
CID 142839755
N-[[4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]cyclopropanamine
CID 62293572
methyl 2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetate
CID 61381106
1-[1-(3,4-dichlorophenyl)-5-ethylpyrazol-4-yl]-N-methylmethanamine
CID 66441666

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-chlorophenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-chlorophenyl]-N-methylmethanamine (CID 114064766) is 1-[4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-chlorophenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-chlorophenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-chlorophenyl]-N-methylmethanamine is CNCc1ccc(-n2nc(C)c(Br)c2C)cc1Cl.
What is the InChIKey of 1-[4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-chlorophenyl]-N-methylmethanamine?
The InChIKey is GINMVFYBQLDGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrClN3/c1-8-13(14)9(2)18(17-8)11-5-4-10(7-16-3)12(15)6-11/h4-6,16H,7H2,1-3H3.
What are the key properties of 1-[4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-chlorophenyl]-N-methylmethanamine?
1-[4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-chlorophenyl]-N-methylmethanamine has a molecular weight of 328.64 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-chlorophenyl]-N-methylmethanamine is sourced from PubChem (CID 114064766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).