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

C9H10BrN3S — CID 60808995

IUPACN-[(5-bromothiophen-2-yl)methyl]-1-methylpyrazol-3-amine
SMILESCn1ccc(NCc2ccc(Br)s2)n1
InChIInChI=1S/C9H10BrN3S/c1-13-5-4-9(12-13)11-6-7-2-3-8(10)14-7/h2-5H,6H2,1H3,(H,11,12)
InChIKeyURASQMAHTBQWLU-UHFFFAOYSA-N
MW272.17 g/mol
LogP2.86
Rot. Bonds3

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

N-[(5-bromothiophen-2-yl)methyl]-1-methylpyrazol-3-amine (PubChem CID 60808995) has the molecular formula C9H10BrN3S and a molecular weight of 272.17 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-1-methylpyrazol-3-amine.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-1-methylpyrazol-3-amine
PubChem CID60808995
Molecular FormulaC9H10BrN3S
Molecular Weight272.17 g/mol
Exact Mass270.98
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-1-methylpyrazol-3-amine
SMILESCn1ccc(NCc2ccc(Br)s2)n1
InChIInChI=1S/C9H10BrN3S/c1-13-5-4-9(12-13)11-6-7-2-3-8(10)14-7/h2-5H,6H2,1H3,(H,11,12)
InChIKeyURASQMAHTBQWLU-UHFFFAOYSA-N
XLogP2.86
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.17
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-fluorothiophen-2-yl)methyl]-1-methylpyrazol-3-amine;hydrochloride
CID 126964997
N-[(5-bromothiophen-2-yl)methyl]-1,2-oxazol-3-amine
CID 130611411
2-N-[(5-bromothiophen-2-yl)methyl]-6-N-methylpyrazine-2,6-diamine
CID 80837433
N-[(5-bromothiophen-2-yl)methyl]pyrimidin-4-amine
CID 61253580
1-methyl-N-[(1-methylpyrrol-3-yl)methyl]pyrazol-3-amine
CID 66400028
1-methyl-N-[[2,4,6-trimethyl-3-[[(1-methylpyrazol-3-yl)amino]methyl]-5-[[2,4,6-trimethyl-3,5-bis[[(1-methylpyrazol-3-yl)amino]methyl]phenyl]methyl]phenyl]methyl]pyrazol-3-amine
CID 122206251
N-[(4-iodophenyl)methyl]-1-methylpyrazol-3-amine
CID 79778850
N-[(3,5-dibromo-4-methoxyphenyl)methyl]-1-methylpyrazol-3-amine
CID 60809796
N-[(3-bromo-5-fluorophenyl)methyl]-1-methylpyrazol-3-amine
CID 79779591
N-[(5-amino-2-bromophenyl)methyl]-1-methylpyrazol-3-amine
CID 103568674
1-methyl-N-(1,2-oxazol-4-ylmethyl)pyrazol-3-amine
CID 139295160
1-methyl-N-(thiadiazol-4-ylmethyl)pyrazol-3-amine
CID 60809159

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-1-methylpyrazol-3-amine?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-1-methylpyrazol-3-amine (CID 60808995) is N-[(5-bromothiophen-2-yl)methyl]-1-methylpyrazol-3-amine.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-1-methylpyrazol-3-amine?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-1-methylpyrazol-3-amine is Cn1ccc(NCc2ccc(Br)s2)n1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-1-methylpyrazol-3-amine?
The InChIKey is URASQMAHTBQWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3S/c1-13-5-4-9(12-13)11-6-7-2-3-8(10)14-7/h2-5H,6H2,1H3,(H,11,12).
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-1-methylpyrazol-3-amine?
N-[(5-bromothiophen-2-yl)methyl]-1-methylpyrazol-3-amine has a molecular weight of 272.17 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-1-methylpyrazol-3-amine is sourced from PubChem (CID 60808995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).