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

C9H10BrN3S — CID 165471888

IUPAC1-[(2-bromothiophen-3-yl)methyl]-5-methylpyrazol-4-amine
SMILESCc1c(N)cnn1Cc1ccsc1Br
InChIInChI=1S/C9H10BrN3S/c1-6-8(11)4-12-13(6)5-7-2-3-14-9(7)10/h2-4H,5,11H2,1H3
InChIKeyVZDMPMGAKALHJI-UHFFFAOYSA-N
MW272.17 g/mol
LogP2.65
Rot. Bonds2

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

1-[(2-bromothiophen-3-yl)methyl]-5-methylpyrazol-4-amine (PubChem CID 165471888) has the molecular formula C9H10BrN3S and a molecular weight of 272.17 g/mol. Its IUPAC name is 1-[(2-bromothiophen-3-yl)methyl]-5-methylpyrazol-4-amine.

Molecular Properties

Compound Name1-[(2-bromothiophen-3-yl)methyl]-5-methylpyrazol-4-amine
PubChem CID165471888
Molecular FormulaC9H10BrN3S
Molecular Weight272.17 g/mol
Exact Mass270.98
IUPAC Name1-[(2-bromothiophen-3-yl)methyl]-5-methylpyrazol-4-amine
SMILESCc1c(N)cnn1Cc1ccsc1Br
InChIInChI=1S/C9H10BrN3S/c1-6-8(11)4-12-13(6)5-7-2-3-14-9(7)10/h2-4H,5,11H2,1H3
InChIKeyVZDMPMGAKALHJI-UHFFFAOYSA-N
XLogP2.65
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.17
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromothiophen-3-yl)methyl]-5-methylpyrazol-4-amine?
The IUPAC name of 1-[(2-bromothiophen-3-yl)methyl]-5-methylpyrazol-4-amine (CID 165471888) is 1-[(2-bromothiophen-3-yl)methyl]-5-methylpyrazol-4-amine.
What is the SMILES notation for 1-[(2-bromothiophen-3-yl)methyl]-5-methylpyrazol-4-amine?
The canonical SMILES for 1-[(2-bromothiophen-3-yl)methyl]-5-methylpyrazol-4-amine is Cc1c(N)cnn1Cc1ccsc1Br.
What is the InChIKey of 1-[(2-bromothiophen-3-yl)methyl]-5-methylpyrazol-4-amine?
The InChIKey is VZDMPMGAKALHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3S/c1-6-8(11)4-12-13(6)5-7-2-3-14-9(7)10/h2-4H,5,11H2,1H3.
What are the key properties of 1-[(2-bromothiophen-3-yl)methyl]-5-methylpyrazol-4-amine?
1-[(2-bromothiophen-3-yl)methyl]-5-methylpyrazol-4-amine has a molecular weight of 272.17 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromothiophen-3-yl)methyl]-5-methylpyrazol-4-amine is sourced from PubChem (CID 165471888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).