N-[(4-bromo-1-methylpyrazol-5-yl)-(3-bromothiophen-2-yl)methyl]propan-1-amine

C12H15Br2N3S — CID 105054059

IUPACN-[(4-bromo-1-methylpyrazol-5-yl)-(3-bromothiophen-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1sccc1Br)c1c(Br)cnn1C
InChIInChI=1S/C12H15Br2N3S/c1-3-5-15-10(12-8(13)4-6-18-12)11-9(14)7-16-17(11)2/h4,6-7,10,15H,3,5H2,1-2H3
InChIKeyCYNSIRWVWWOPLN-UHFFFAOYSA-N
MW393.15 g/mol
LogP4.10
Rot. Bonds5

About N-[(4-bromo-1-methylpyrazol-5-yl)-(3-bromothiophen-2-yl)methyl]propan-1-amine

N-[(4-bromo-1-methylpyrazol-5-yl)-(3-bromothiophen-2-yl)methyl]propan-1-amine (PubChem CID 105054059) has the molecular formula C12H15Br2N3S and a molecular weight of 393.15 g/mol. Its IUPAC name is N-[(4-bromo-1-methylpyrazol-5-yl)-(3-bromothiophen-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-bromo-1-methylpyrazol-5-yl)-(3-bromothiophen-2-yl)methyl]propan-1-amine
PubChem CID105054059
Molecular FormulaC12H15Br2N3S
Molecular Weight393.15 g/mol
Exact Mass390.94
IUPAC NameN-[(4-bromo-1-methylpyrazol-5-yl)-(3-bromothiophen-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1sccc1Br)c1c(Br)cnn1C
InChIInChI=1S/C12H15Br2N3S/c1-3-5-15-10(12-8(13)4-6-18-12)11-9(14)7-16-17(11)2/h4,6-7,10,15H,3,5H2,1-2H3
InChIKeyCYNSIRWVWWOPLN-UHFFFAOYSA-N
XLogP4.10
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.15
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4-bromo-1-methylpyrazol-5-yl)-(3-bromothiophen-2-yl)methyl]propan-1-amine 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

N-[(4-bromo-1-propylpyrazol-5-yl)-(3-ethylthiophen-2-yl)methyl]propan-1-amine
CID 105041390
N-[(3-bromothiophen-2-yl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine
CID 115857450
N-[(4-bromo-1-methylpyrazol-5-yl)-(5-methylfuran-2-yl)methyl]propan-1-amine
CID 105054251
N-[(4-bromo-1-methylpyrazol-5-yl)-(4-methoxyphenyl)methyl]propan-1-amine
CID 114646039
N-[(2-bromofuran-3-yl)-(4-bromo-1-methylpyrazol-5-yl)methyl]propan-1-amine
CID 106858842
4-[(4-bromo-1-methylpyrazol-5-yl)-(propylamino)methyl]-N,N-dimethylaniline
CID 105189780
N-[(4-bromo-1-methylpyrazol-5-yl)-(3,5-dibromo-2-pyridinyl)methyl]propan-1-amine
CID 114660620
N-[(3-bromothiophen-2-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 115380872
N-[(4-bromo-1-methylpyrazol-5-yl)-(3-iodophenyl)methyl]propan-1-amine
CID 105054033
N-[(3-bromothiophen-2-yl)-pyrazolo[1,5-a]pyridin-3-ylmethyl]propan-1-amine
CID 103127896
N-[(4-bromo-1-methylpyrazol-5-yl)-(5-methylfuran-3-yl)methyl]propan-1-amine
CID 105054085
1-(4-bromo-1-methylpyrazol-5-yl)-N-propylbutan-1-amine
CID 114647947

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-1-methylpyrazol-5-yl)-(3-bromothiophen-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(4-bromo-1-methylpyrazol-5-yl)-(3-bromothiophen-2-yl)methyl]propan-1-amine (CID 105054059) is N-[(4-bromo-1-methylpyrazol-5-yl)-(3-bromothiophen-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-bromo-1-methylpyrazol-5-yl)-(3-bromothiophen-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-bromo-1-methylpyrazol-5-yl)-(3-bromothiophen-2-yl)methyl]propan-1-amine is CCCNC(c1sccc1Br)c1c(Br)cnn1C.
What is the InChIKey of N-[(4-bromo-1-methylpyrazol-5-yl)-(3-bromothiophen-2-yl)methyl]propan-1-amine?
The InChIKey is CYNSIRWVWWOPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Br2N3S/c1-3-5-15-10(12-8(13)4-6-18-12)11-9(14)7-16-17(11)2/h4,6-7,10,15H,3,5H2,1-2H3.
What are the key properties of N-[(4-bromo-1-methylpyrazol-5-yl)-(3-bromothiophen-2-yl)methyl]propan-1-amine?
N-[(4-bromo-1-methylpyrazol-5-yl)-(3-bromothiophen-2-yl)methyl]propan-1-amine has a molecular weight of 393.15 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-1-methylpyrazol-5-yl)-(3-bromothiophen-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 105054059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).