5-(4,5-dibromothiophen-2-yl)-4-(2-methylpropyl)-1H-pyrazol-3-amine

C11H13Br2N3S — CID 80536627

IUPAC5-(4,5-dibromothiophen-2-yl)-4-(2-methylpropyl)-1H-pyrazol-3-amine
SMILESCC(C)Cc1c(N)n[nH]c1-c1cc(Br)c(Br)s1
InChIInChI=1S/C11H13Br2N3S/c1-5(2)3-6-9(15-16-11(6)14)8-4-7(12)10(13)17-8/h4-5H,3H2,1-2H3,(H3,14,15,16)
InChIKeyQYLAXPOVVMOZIX-UHFFFAOYSA-N
MW379.12 g/mol
LogP4.44
Rot. Bonds3

About 5-(4,5-dibromothiophen-2-yl)-4-(2-methylpropyl)-1H-pyrazol-3-amine

5-(4,5-dibromothiophen-2-yl)-4-(2-methylpropyl)-1H-pyrazol-3-amine (PubChem CID 80536627) has the molecular formula C11H13Br2N3S and a molecular weight of 379.12 g/mol. Its IUPAC name is 5-(4,5-dibromothiophen-2-yl)-4-(2-methylpropyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(4,5-dibromothiophen-2-yl)-4-(2-methylpropyl)-1H-pyrazol-3-amine
PubChem CID80536627
Molecular FormulaC11H13Br2N3S
Molecular Weight379.12 g/mol
Exact Mass376.92
IUPAC Name5-(4,5-dibromothiophen-2-yl)-4-(2-methylpropyl)-1H-pyrazol-3-amine
SMILESCC(C)Cc1c(N)n[nH]c1-c1cc(Br)c(Br)s1
InChIInChI=1S/C11H13Br2N3S/c1-5(2)3-6-9(15-16-11(6)14)8-4-7(12)10(13)17-8/h4-5H,3H2,1-2H3,(H3,14,15,16)
InChIKeyQYLAXPOVVMOZIX-UHFFFAOYSA-N
XLogP4.44
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.12
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4,5-dibromothiophen-2-yl)-4-(2-methylpropyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(4,5-dibromothiophen-2-yl)-4-(2-methylpropyl)-1H-pyrazol-3-amine (CID 80536627) is 5-(4,5-dibromothiophen-2-yl)-4-(2-methylpropyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(4,5-dibromothiophen-2-yl)-4-(2-methylpropyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(4,5-dibromothiophen-2-yl)-4-(2-methylpropyl)-1H-pyrazol-3-amine is CC(C)Cc1c(N)n[nH]c1-c1cc(Br)c(Br)s1.
What is the InChIKey of 5-(4,5-dibromothiophen-2-yl)-4-(2-methylpropyl)-1H-pyrazol-3-amine?
The InChIKey is QYLAXPOVVMOZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Br2N3S/c1-5(2)3-6-9(15-16-11(6)14)8-4-7(12)10(13)17-8/h4-5H,3H2,1-2H3,(H3,14,15,16).
What are the key properties of 5-(4,5-dibromothiophen-2-yl)-4-(2-methylpropyl)-1H-pyrazol-3-amine?
5-(4,5-dibromothiophen-2-yl)-4-(2-methylpropyl)-1H-pyrazol-3-amine has a molecular weight of 379.12 g/mol, XLogP of 4.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,5-dibromothiophen-2-yl)-4-(2-methylpropyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 80536627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).