1-(4-bromo-1-methylpyrazol-5-yl)-3-(3-methylphenyl)propan-1-amine

C14H18BrN3 — CID 105189904

IUPAC1-(4-bromo-1-methylpyrazol-5-yl)-3-(3-methylphenyl)propan-1-amine
SMILESCc1cccc(CCC(N)c2c(Br)cnn2C)c1
InChIInChI=1S/C14H18BrN3/c1-10-4-3-5-11(8-10)6-7-13(16)14-12(15)9-17-18(14)2/h3-5,8-9,13H,6-7,16H2,1-2H3
InChIKeyCOKOXTPGLKMDBK-UHFFFAOYSA-N
MW308.22 g/mol
LogP3.12
Rot. Bonds4

About 1-(4-bromo-1-methylpyrazol-5-yl)-3-(3-methylphenyl)propan-1-amine

1-(4-bromo-1-methylpyrazol-5-yl)-3-(3-methylphenyl)propan-1-amine (PubChem CID 105189904) has the molecular formula C14H18BrN3 and a molecular weight of 308.22 g/mol. Its IUPAC name is 1-(4-bromo-1-methylpyrazol-5-yl)-3-(3-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name1-(4-bromo-1-methylpyrazol-5-yl)-3-(3-methylphenyl)propan-1-amine
PubChem CID105189904
Molecular FormulaC14H18BrN3
Molecular Weight308.22 g/mol
Exact Mass307.07
IUPAC Name1-(4-bromo-1-methylpyrazol-5-yl)-3-(3-methylphenyl)propan-1-amine
SMILESCc1cccc(CCC(N)c2c(Br)cnn2C)c1
InChIInChI=1S/C14H18BrN3/c1-10-4-3-5-11(8-10)6-7-13(16)14-12(15)9-17-18(14)2/h3-5,8-9,13H,6-7,16H2,1-2H3
InChIKeyCOKOXTPGLKMDBK-UHFFFAOYSA-N
XLogP3.12
TPSA43.84 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 ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-1-propylpyrazol-5-yl)-N-methyl-3-(3-methylphenyl)propan-1-amine
CID 105183535
1-(4-bromo-1-methylpyrazol-5-yl)-4-methylpentan-1-amine
CID 114648705
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-3-(3-methylphenyl)propan-1-amine
CID 105190068
1-(4-bromo-1-methylpyrazol-5-yl)-N',N'-dimethylpropane-1,3-diamine
CID 114659465
1-(4-bromo-1-ethylpyrazol-5-yl)-3-phenylpropan-1-amine
CID 114648404
1-(3-methylphenyl)-5-(2-methylpyrazol-3-yl)pentan-3-amine
CID 103030755
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-3-phenylpropan-1-amine
CID 114648417
1-(4-bromo-1-methylpyrazol-5-yl)-4-methoxypentan-1-amine
CID 105189862
1-(4-bromo-1-methylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103216484
1-(4-bromo-1-methylpyrazol-5-yl)-2-(3,5-dimethylphenyl)-N-methylethanamine
CID 114649591
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-(3-methylphenyl)butan-2-amine
CID 61169749
1-(3-fluoro-4-pyridinyl)-3-(3-methylphenyl)propan-1-amine
CID 105182059

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-methylpyrazol-5-yl)-3-(3-methylphenyl)propan-1-amine?
The IUPAC name of 1-(4-bromo-1-methylpyrazol-5-yl)-3-(3-methylphenyl)propan-1-amine (CID 105189904) is 1-(4-bromo-1-methylpyrazol-5-yl)-3-(3-methylphenyl)propan-1-amine.
What is the SMILES notation for 1-(4-bromo-1-methylpyrazol-5-yl)-3-(3-methylphenyl)propan-1-amine?
The canonical SMILES for 1-(4-bromo-1-methylpyrazol-5-yl)-3-(3-methylphenyl)propan-1-amine is Cc1cccc(CCC(N)c2c(Br)cnn2C)c1.
What is the InChIKey of 1-(4-bromo-1-methylpyrazol-5-yl)-3-(3-methylphenyl)propan-1-amine?
The InChIKey is COKOXTPGLKMDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3/c1-10-4-3-5-11(8-10)6-7-13(16)14-12(15)9-17-18(14)2/h3-5,8-9,13H,6-7,16H2,1-2H3.
What are the key properties of 1-(4-bromo-1-methylpyrazol-5-yl)-3-(3-methylphenyl)propan-1-amine?
1-(4-bromo-1-methylpyrazol-5-yl)-3-(3-methylphenyl)propan-1-amine has a molecular weight of 308.22 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-methylpyrazol-5-yl)-3-(3-methylphenyl)propan-1-amine is sourced from PubChem (CID 105189904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).