1-[1-[(3-bromophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine

C14H18BrN3 — CID 43647688

IUPAC1-[1-[(3-bromophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine
SMILESCNCc1c(C)nn(Cc2cccc(Br)c2)c1C
InChIInChI=1S/C14H18BrN3/c1-10-14(8-16-3)11(2)18(17-10)9-12-5-4-6-13(15)7-12/h4-7,16H,8-9H2,1-3H3
InChIKeyJGZAZANDSRZWNK-UHFFFAOYSA-N
MW308.22 g/mol
LogP3.03
Rot. Bonds4

About 1-[1-[(3-bromophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine

1-[1-[(3-bromophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine (PubChem CID 43647688) has the molecular formula C14H18BrN3 and a molecular weight of 308.22 g/mol. Its IUPAC name is 1-[1-[(3-bromophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[(3-bromophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine
PubChem CID43647688
Molecular FormulaC14H18BrN3
Molecular Weight308.22 g/mol
Exact Mass307.07
IUPAC Name1-[1-[(3-bromophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine
SMILESCNCc1c(C)nn(Cc2cccc(Br)c2)c1C
InChIInChI=1S/C14H18BrN3/c1-10-14(8-16-3)11(2)18(17-10)9-12-5-4-6-13(15)7-12/h4-7,16H,8-9H2,1-3H3
InChIKeyJGZAZANDSRZWNK-UHFFFAOYSA-N
XLogP3.03
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[3,5-dimethyl-4-(methylaminomethyl)pyrazol-1-yl]methyl]benzonitrile
CID 43647689
3-[1-[(3-bromophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanoic acid
CID 63276901
ethyl 2-[1-[(3-bromophenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetate
CID 63276296
1-[1-(3-bromophenyl)-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine
CID 61270772
1-[1-[(2,6-difluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine
CID 114930879
4-[[3,5-dimethyl-4-(methylaminomethyl)pyrazol-1-yl]methyl]benzonitrile
CID 43647628
1-[3,5-dimethyl-1-(thiophen-3-ylmethyl)pyrazol-4-yl]-N-methylmethanamine
CID 43647714
1-[1-[(2-bromo-4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine
CID 43647625
3-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]-N,2-dimethylpropan-1-amine
CID 79224020
N-[[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]methyl]cyclopropanamine
CID 43648088
1-benzyl-4-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3,5-dimethylpyrazole
CID 13433139
1-[1-[(2,4-dimethylphenyl)methyl]-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine
CID 82300123

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-bromophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[(3-bromophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine (CID 43647688) is 1-[1-[(3-bromophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[(3-bromophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[(3-bromophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine is CNCc1c(C)nn(Cc2cccc(Br)c2)c1C.
What is the InChIKey of 1-[1-[(3-bromophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine?
The InChIKey is JGZAZANDSRZWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3/c1-10-14(8-16-3)11(2)18(17-10)9-12-5-4-6-13(15)7-12/h4-7,16H,8-9H2,1-3H3.
What are the key properties of 1-[1-[(3-bromophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine?
1-[1-[(3-bromophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine has a molecular weight of 308.22 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3-bromophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 43647688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).