1-(3-bromophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylmethanamine

C14H18BrN3 — CID 22194310

IUPAC1-(3-bromophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylmethanamine
SMILESCCn1cc(CN(C)Cc2cccc(Br)c2)cn1
InChIInChI=1S/C14H18BrN3/c1-3-18-11-13(8-16-18)10-17(2)9-12-5-4-6-14(15)7-12/h4-8,11H,3,9-10H2,1-2H3
InChIKeyZMCPLZXFJZWZFX-UHFFFAOYSA-N
MW308.22 g/mol
LogP3.30
Rot. Bonds5

About 1-(3-bromophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylmethanamine

1-(3-bromophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylmethanamine (PubChem CID 22194310) has the molecular formula C14H18BrN3 and a molecular weight of 308.22 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylmethanamine
PubChem CID22194310
Molecular FormulaC14H18BrN3
Molecular Weight308.22 g/mol
Exact Mass307.07
IUPAC Name1-(3-bromophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylmethanamine
SMILESCCn1cc(CN(C)Cc2cccc(Br)c2)cn1
InChIInChI=1S/C14H18BrN3/c1-3-18-11-13(8-16-18)10-17(2)9-12-5-4-6-14(15)7-12/h4-8,11H,3,9-10H2,1-2H3
InChIKeyZMCPLZXFJZWZFX-UHFFFAOYSA-N
XLogP3.30
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(3-bromophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-bromophenyl)-N-ethyl-3-(1-ethylpyrazol-4-yl)propan-2-amine
CID 62126268
4-[[(1-ethylpyrazol-4-yl)methyl-methylamino]methyl]aniline
CID 62127965
1-(3-chloro-5-fluorophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylmethanamine
CID 77079167
1-(3-bromophenyl)-N-[(5-bromo-2-pyridinyl)methyl]-N-methylmethanamine
CID 115622448
4-[[(1-ethylpyrazol-4-yl)methyl-methylamino]methyl]benzoic acid
CID 62126061
N-[[5-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl]methyl]-1-(1-ethylpyrazol-4-yl)-N-methylmethanamine
CID 75464084
1-(3-bromophenyl)-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-1-one
CID 62613793
1-(1-ethylpyrazol-4-yl)-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]methanamine
CID 17277663
5-[[(3-bromophenyl)methyl-methylamino]methyl]pyrazin-2-amine
CID 103056056
N-[(3-bromophenyl)methyl]-N,2-dimethylbutan-1-amine
CID 55136782
1-(3-bromophenyl)-N-methyl-N-(thiophen-2-ylmethyl)methanamine
CID 60646316
3-bromo-5-[(1-ethylpyrazol-4-yl)methyl-methylcarbamoyl]benzoic acid
CID 136544031

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylmethanamine?
The IUPAC name of 1-(3-bromophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylmethanamine (CID 22194310) is 1-(3-bromophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylmethanamine.
What is the SMILES notation for 1-(3-bromophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylmethanamine?
The canonical SMILES for 1-(3-bromophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylmethanamine is CCn1cc(CN(C)Cc2cccc(Br)c2)cn1.
What is the InChIKey of 1-(3-bromophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylmethanamine?
The InChIKey is ZMCPLZXFJZWZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3/c1-3-18-11-13(8-16-18)10-17(2)9-12-5-4-6-14(15)7-12/h4-8,11H,3,9-10H2,1-2H3.
What are the key properties of 1-(3-bromophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylmethanamine?
1-(3-bromophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylmethanamine has a molecular weight of 308.22 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylmethanamine is sourced from PubChem (CID 22194310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).