5-(5-bromothiophen-2-yl)-4-propyl-1H-pyrazol-3-amine

C10H12BrN3S — CID 79405503

IUPAC5-(5-bromothiophen-2-yl)-4-propyl-1H-pyrazol-3-amine
SMILESCCCc1c(N)n[nH]c1-c1ccc(Br)s1
InChIInChI=1S/C10H12BrN3S/c1-2-3-6-9(13-14-10(6)12)7-4-5-8(11)15-7/h4-5H,2-3H2,1H3,(H3,12,13,14)
InChIKeyFVFZTJHMQDLNRP-UHFFFAOYSA-N
MW286.20 g/mol
LogP3.44
Rot. Bonds3

About 5-(5-bromothiophen-2-yl)-4-propyl-1H-pyrazol-3-amine

5-(5-bromothiophen-2-yl)-4-propyl-1H-pyrazol-3-amine (PubChem CID 79405503) has the molecular formula C10H12BrN3S and a molecular weight of 286.20 g/mol. Its IUPAC name is 5-(5-bromothiophen-2-yl)-4-propyl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(5-bromothiophen-2-yl)-4-propyl-1H-pyrazol-3-amine
PubChem CID79405503
Molecular FormulaC10H12BrN3S
Molecular Weight286.20 g/mol
Exact Mass284.99
IUPAC Name5-(5-bromothiophen-2-yl)-4-propyl-1H-pyrazol-3-amine
SMILESCCCc1c(N)n[nH]c1-c1ccc(Br)s1
InChIInChI=1S/C10H12BrN3S/c1-2-3-6-9(13-14-10(6)12)7-4-5-8(11)15-7/h4-5H,2-3H2,1H3,(H3,12,13,14)
InChIKeyFVFZTJHMQDLNRP-UHFFFAOYSA-N
XLogP3.44
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.20
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(5-bromothiophen-2-yl)-4-propyl-1H-pyrazol-3-amine?
The IUPAC name of 5-(5-bromothiophen-2-yl)-4-propyl-1H-pyrazol-3-amine (CID 79405503) is 5-(5-bromothiophen-2-yl)-4-propyl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(5-bromothiophen-2-yl)-4-propyl-1H-pyrazol-3-amine?
The canonical SMILES for 5-(5-bromothiophen-2-yl)-4-propyl-1H-pyrazol-3-amine is CCCc1c(N)n[nH]c1-c1ccc(Br)s1.
What is the InChIKey of 5-(5-bromothiophen-2-yl)-4-propyl-1H-pyrazol-3-amine?
The InChIKey is FVFZTJHMQDLNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3S/c1-2-3-6-9(13-14-10(6)12)7-4-5-8(11)15-7/h4-5H,2-3H2,1H3,(H3,12,13,14).
What are the key properties of 5-(5-bromothiophen-2-yl)-4-propyl-1H-pyrazol-3-amine?
5-(5-bromothiophen-2-yl)-4-propyl-1H-pyrazol-3-amine has a molecular weight of 286.20 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromothiophen-2-yl)-4-propyl-1H-pyrazol-3-amine is sourced from PubChem (CID 79405503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).