(3-bromothiophen-2-yl)-(1,5-dimethylpyrazol-4-yl)methanamine

C10H12BrN3S — CID 105173057

IUPAC(3-bromothiophen-2-yl)-(1,5-dimethylpyrazol-4-yl)methanamine
SMILESCc1c(C(N)c2sccc2Br)cnn1C
InChIInChI=1S/C10H12BrN3S/c1-6-7(5-13-14(6)2)9(12)10-8(11)3-4-15-10/h3-5,9H,12H2,1-2H3
InChIKeyLRKODXORYDUXKD-UHFFFAOYSA-N
MW286.20 g/mol
LogP2.60
Rot. Bonds2

About (3-bromothiophen-2-yl)-(1,5-dimethylpyrazol-4-yl)methanamine

(3-bromothiophen-2-yl)-(1,5-dimethylpyrazol-4-yl)methanamine (PubChem CID 105173057) has the molecular formula C10H12BrN3S and a molecular weight of 286.20 g/mol. Its IUPAC name is (3-bromothiophen-2-yl)-(1,5-dimethylpyrazol-4-yl)methanamine.

Molecular Properties

Compound Name(3-bromothiophen-2-yl)-(1,5-dimethylpyrazol-4-yl)methanamine
PubChem CID105173057
Molecular FormulaC10H12BrN3S
Molecular Weight286.20 g/mol
Exact Mass284.99
IUPAC Name(3-bromothiophen-2-yl)-(1,5-dimethylpyrazol-4-yl)methanamine
SMILESCc1c(C(N)c2sccc2Br)cnn1C
InChIInChI=1S/C10H12BrN3S/c1-6-7(5-13-14(6)2)9(12)10-8(11)3-4-15-10/h3-5,9H,12H2,1-2H3
InChIKeyLRKODXORYDUXKD-UHFFFAOYSA-N
XLogP2.60
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.20
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-bromothiophen-2-yl)-(2,6-dimethyl-3-pyridinyl)methanamine
CID 105173000
(3-bromothiophen-2-yl)-(3-methylimidazol-4-yl)methanamine
CID 82895953
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-bromothiophen-2-yl)methanamine
CID 105042373
(3-bromothiophen-2-yl)-(2-methylpyrimidin-4-yl)methanamine
CID 115530329
(4-bromo-1-ethylpyrazol-5-yl)-(3-bromothiophen-2-yl)methanamine
CID 105040396
(3-bromothiophen-2-yl)-(4-bromothiophen-3-yl)methanamine
CID 105010950
(3-bromothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanamine
CID 79724955
(3-bromothiophen-2-yl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanamine
CID 105041950
(2-bromo-4,5-dimethoxyphenyl)-(3-bromothiophen-2-yl)methanamine
CID 63796861
(2-bromo-4-methoxyphenyl)-(3-bromothiophen-2-yl)methanamine
CID 63797566
1-(3-bromothiophen-2-yl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 115821985
(3-bromothiophen-2-yl)-(4-propan-2-ylphenyl)methanamine
CID 63796873

Frequently Asked Questions

What is the IUPAC name of (3-bromothiophen-2-yl)-(1,5-dimethylpyrazol-4-yl)methanamine?
The IUPAC name of (3-bromothiophen-2-yl)-(1,5-dimethylpyrazol-4-yl)methanamine (CID 105173057) is (3-bromothiophen-2-yl)-(1,5-dimethylpyrazol-4-yl)methanamine.
What is the SMILES notation for (3-bromothiophen-2-yl)-(1,5-dimethylpyrazol-4-yl)methanamine?
The canonical SMILES for (3-bromothiophen-2-yl)-(1,5-dimethylpyrazol-4-yl)methanamine is Cc1c(C(N)c2sccc2Br)cnn1C.
What is the InChIKey of (3-bromothiophen-2-yl)-(1,5-dimethylpyrazol-4-yl)methanamine?
The InChIKey is LRKODXORYDUXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3S/c1-6-7(5-13-14(6)2)9(12)10-8(11)3-4-15-10/h3-5,9H,12H2,1-2H3.
What are the key properties of (3-bromothiophen-2-yl)-(1,5-dimethylpyrazol-4-yl)methanamine?
(3-bromothiophen-2-yl)-(1,5-dimethylpyrazol-4-yl)methanamine has a molecular weight of 286.20 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromothiophen-2-yl)-(1,5-dimethylpyrazol-4-yl)methanamine is sourced from PubChem (CID 105173057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).