(4-bromo-1-methylpyrazol-5-yl)-(4-bromothiophen-2-yl)methanamine

C9H9Br2N3S — CID 114652742

IUPAC(4-bromo-1-methylpyrazol-5-yl)-(4-bromothiophen-2-yl)methanamine
SMILESCn1ncc(Br)c1C(N)c1cc(Br)cs1
InChIInChI=1S/C9H9Br2N3S/c1-14-9(6(11)3-13-14)8(12)7-2-5(10)4-15-7/h2-4,8H,12H2,1H3
InChIKeyFONUSUFUVJBQSB-UHFFFAOYSA-N
MW351.07 g/mol
LogP3.05
Rot. Bonds2

About (4-bromo-1-methylpyrazol-5-yl)-(4-bromothiophen-2-yl)methanamine

(4-bromo-1-methylpyrazol-5-yl)-(4-bromothiophen-2-yl)methanamine (PubChem CID 114652742) has the molecular formula C9H9Br2N3S and a molecular weight of 351.07 g/mol. Its IUPAC name is (4-bromo-1-methylpyrazol-5-yl)-(4-bromothiophen-2-yl)methanamine.

Molecular Properties

Compound Name(4-bromo-1-methylpyrazol-5-yl)-(4-bromothiophen-2-yl)methanamine
PubChem CID114652742
Molecular FormulaC9H9Br2N3S
Molecular Weight351.07 g/mol
Exact Mass348.89
IUPAC Name(4-bromo-1-methylpyrazol-5-yl)-(4-bromothiophen-2-yl)methanamine
SMILESCn1ncc(Br)c1C(N)c1cc(Br)cs1
InChIInChI=1S/C9H9Br2N3S/c1-14-9(6(11)3-13-14)8(12)7-2-5(10)4-15-7/h2-4,8H,12H2,1H3
InChIKeyFONUSUFUVJBQSB-UHFFFAOYSA-N
XLogP3.05
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.07
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-bromo-1-methylpyrazol-5-yl)-(5-ethylthiophen-2-yl)methanamine
CID 105054323
1-benzothiophen-2-yl-(4-bromo-1-methylpyrazol-5-yl)methanamine
CID 105054135
(5-bromo-2-methylphenyl)-(4-bromo-1-methylpyrazol-5-yl)methanamine
CID 105054403
1-(4-bromo-1-methylpyrazol-5-yl)-4-methylpentan-1-amine
CID 114648705
(3-bromo-4-methoxyphenyl)-(4-bromo-1-methylpyrazol-5-yl)methanamine
CID 105054199
1-(4-bromo-1-methylpyrazol-5-yl)-N',N'-dimethylpropane-1,3-diamine
CID 114659465
(3R)-3-amino-3-(4-bromo-1-methylpyrazol-5-yl)propanamide
CID 130586349
3-amino-3-(4-bromo-1-methylpyrazol-5-yl)propanamide
CID 130586350
(4-bromo-1-methylpyrazol-5-yl)-(5-chloro-2-iodophenyl)methanamine
CID 114030271
(4-bromo-1-methylpyrazol-5-yl)-(2-methylsulfanylphenyl)methanamine
CID 105054374
(4-bromo-1-methylpyrazol-5-yl)-(2,3-dimethylphenyl)methanamine
CID 105054313
4-(4-bromo-1-methylpyrazol-5-yl)pentan-2-ol
CID 114665060

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-methylpyrazol-5-yl)-(4-bromothiophen-2-yl)methanamine?
The IUPAC name of (4-bromo-1-methylpyrazol-5-yl)-(4-bromothiophen-2-yl)methanamine (CID 114652742) is (4-bromo-1-methylpyrazol-5-yl)-(4-bromothiophen-2-yl)methanamine.
What is the SMILES notation for (4-bromo-1-methylpyrazol-5-yl)-(4-bromothiophen-2-yl)methanamine?
The canonical SMILES for (4-bromo-1-methylpyrazol-5-yl)-(4-bromothiophen-2-yl)methanamine is Cn1ncc(Br)c1C(N)c1cc(Br)cs1.
What is the InChIKey of (4-bromo-1-methylpyrazol-5-yl)-(4-bromothiophen-2-yl)methanamine?
The InChIKey is FONUSUFUVJBQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Br2N3S/c1-14-9(6(11)3-13-14)8(12)7-2-5(10)4-15-7/h2-4,8H,12H2,1H3.
What are the key properties of (4-bromo-1-methylpyrazol-5-yl)-(4-bromothiophen-2-yl)methanamine?
(4-bromo-1-methylpyrazol-5-yl)-(4-bromothiophen-2-yl)methanamine has a molecular weight of 351.07 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-methylpyrazol-5-yl)-(4-bromothiophen-2-yl)methanamine is sourced from PubChem (CID 114652742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).