4-bromo-1-[(5-chlorothiophen-2-yl)methyl]pyrazol-3-amine

C8H7BrClN3S — CID 61176753

IUPAC4-bromo-1-[(5-chlorothiophen-2-yl)methyl]pyrazol-3-amine
SMILESNc1nn(Cc2ccc(Cl)s2)cc1Br
InChIInChI=1S/C8H7BrClN3S/c9-6-4-13(12-8(6)11)3-5-1-2-7(10)14-5/h1-2,4H,3H2,(H2,11,12)
InChIKeyJFUOPRYULDRMQM-UHFFFAOYSA-N
MW292.59 g/mol
LogP2.99
Rot. Bonds2

About 4-bromo-1-[(5-chlorothiophen-2-yl)methyl]pyrazol-3-amine

4-bromo-1-[(5-chlorothiophen-2-yl)methyl]pyrazol-3-amine (PubChem CID 61176753) has the molecular formula C8H7BrClN3S and a molecular weight of 292.59 g/mol. Its IUPAC name is 4-bromo-1-[(5-chlorothiophen-2-yl)methyl]pyrazol-3-amine.

Molecular Properties

Compound Name4-bromo-1-[(5-chlorothiophen-2-yl)methyl]pyrazol-3-amine
PubChem CID61176753
Molecular FormulaC8H7BrClN3S
Molecular Weight292.59 g/mol
Exact Mass290.92
IUPAC Name4-bromo-1-[(5-chlorothiophen-2-yl)methyl]pyrazol-3-amine
SMILESNc1nn(Cc2ccc(Cl)s2)cc1Br
InChIInChI=1S/C8H7BrClN3S/c9-6-4-13(12-8(6)11)3-5-1-2-7(10)14-5/h1-2,4H,3H2,(H2,11,12)
InChIKeyJFUOPRYULDRMQM-UHFFFAOYSA-N
XLogP2.99
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.59
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-[(5-chlorothiophen-2-yl)methyl]pyrazol-3-amine?
The IUPAC name of 4-bromo-1-[(5-chlorothiophen-2-yl)methyl]pyrazol-3-amine (CID 61176753) is 4-bromo-1-[(5-chlorothiophen-2-yl)methyl]pyrazol-3-amine.
What is the SMILES notation for 4-bromo-1-[(5-chlorothiophen-2-yl)methyl]pyrazol-3-amine?
The canonical SMILES for 4-bromo-1-[(5-chlorothiophen-2-yl)methyl]pyrazol-3-amine is Nc1nn(Cc2ccc(Cl)s2)cc1Br.
What is the InChIKey of 4-bromo-1-[(5-chlorothiophen-2-yl)methyl]pyrazol-3-amine?
The InChIKey is JFUOPRYULDRMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrClN3S/c9-6-4-13(12-8(6)11)3-5-1-2-7(10)14-5/h1-2,4H,3H2,(H2,11,12).
What are the key properties of 4-bromo-1-[(5-chlorothiophen-2-yl)methyl]pyrazol-3-amine?
4-bromo-1-[(5-chlorothiophen-2-yl)methyl]pyrazol-3-amine has a molecular weight of 292.59 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-[(5-chlorothiophen-2-yl)methyl]pyrazol-3-amine is sourced from PubChem (CID 61176753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).