5-(2-bromofuran-3-yl)-4-(2-methoxy-5-methylphenyl)-1H-pyrazol-3-amine

C15H14BrN3O2 — CID 106854526

IUPAC5-(2-bromofuran-3-yl)-4-(2-methoxy-5-methylphenyl)-1H-pyrazol-3-amine
SMILESCOc1ccc(C)cc1-c1c(N)n[nH]c1-c1ccoc1Br
InChIInChI=1S/C15H14BrN3O2/c1-8-3-4-11(20-2)10(7-8)12-13(18-19-15(12)17)9-5-6-21-14(9)16/h3-7H,1-2H3,(H3,17,18,19)
InChIKeyPYCRZVBEDCNKHR-UHFFFAOYSA-N
MW348.20 g/mol
LogP4.00
Rot. Bonds3

About 5-(2-bromofuran-3-yl)-4-(2-methoxy-5-methylphenyl)-1H-pyrazol-3-amine

5-(2-bromofuran-3-yl)-4-(2-methoxy-5-methylphenyl)-1H-pyrazol-3-amine (PubChem CID 106854526) has the molecular formula C15H14BrN3O2 and a molecular weight of 348.20 g/mol. Its IUPAC name is 5-(2-bromofuran-3-yl)-4-(2-methoxy-5-methylphenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(2-bromofuran-3-yl)-4-(2-methoxy-5-methylphenyl)-1H-pyrazol-3-amine
PubChem CID106854526
Molecular FormulaC15H14BrN3O2
Molecular Weight348.20 g/mol
Exact Mass347.03
IUPAC Name5-(2-bromofuran-3-yl)-4-(2-methoxy-5-methylphenyl)-1H-pyrazol-3-amine
SMILESCOc1ccc(C)cc1-c1c(N)n[nH]c1-c1ccoc1Br
InChIInChI=1S/C15H14BrN3O2/c1-8-3-4-11(20-2)10(7-8)12-13(18-19-15(12)17)9-5-6-21-14(9)16/h3-7H,1-2H3,(H3,17,18,19)
InChIKeyPYCRZVBEDCNKHR-UHFFFAOYSA-N
XLogP4.00
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.20
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-bromofuran-3-yl)-4-(2-methoxy-5-methylphenyl)-1,2-oxazol-3-amine
CID 106856450
5-(2-bromofuran-3-yl)-4-(4-methoxyphenyl)-1H-pyrazol-3-amine
CID 106854527
4-(2-methoxy-5-methylphenyl)-5-pyridazin-4-yl-1H-pyrazol-3-amine
CID 104670632
5-(3-chlorothiophen-2-yl)-4-(2-methoxy-5-methylphenyl)-1H-pyrazol-3-amine
CID 80644038
5-(5-iodothiophen-3-yl)-4-(2-methoxy-5-methylphenyl)-1H-pyrazol-3-amine
CID 79691856
5-(2,5-dibromothiophen-3-yl)-4-(2-methoxyphenyl)-1H-pyrazol-3-amine
CID 107962588
5-(2-methoxy-5-methylphenyl)-1H-imidazol-4-amine
CID 82469801
5-(3-bromothiophen-2-yl)-4-(5-chloro-2-methoxyphenyl)-1H-pyrazol-3-amine
CID 63798640
4-(2-bromophenyl)-5-(2,4-dimethylphenyl)-1H-pyrazol-3-amine
CID 62829643
5-(3-bromothiophen-2-yl)-4-(2-methoxy-5-methylphenyl)-1,2-oxazol-3-amine
CID 66199541
5-(2-bromo-5-methylphenyl)-4-(4-chlorophenyl)-1H-pyrazol-3-amine
CID 81110725
4-(2-methoxy-5-methylphenyl)-6-methylpyrimidin-2-amine
CID 62482749

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromofuran-3-yl)-4-(2-methoxy-5-methylphenyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(2-bromofuran-3-yl)-4-(2-methoxy-5-methylphenyl)-1H-pyrazol-3-amine (CID 106854526) is 5-(2-bromofuran-3-yl)-4-(2-methoxy-5-methylphenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(2-bromofuran-3-yl)-4-(2-methoxy-5-methylphenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(2-bromofuran-3-yl)-4-(2-methoxy-5-methylphenyl)-1H-pyrazol-3-amine is COc1ccc(C)cc1-c1c(N)n[nH]c1-c1ccoc1Br.
What is the InChIKey of 5-(2-bromofuran-3-yl)-4-(2-methoxy-5-methylphenyl)-1H-pyrazol-3-amine?
The InChIKey is PYCRZVBEDCNKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O2/c1-8-3-4-11(20-2)10(7-8)12-13(18-19-15(12)17)9-5-6-21-14(9)16/h3-7H,1-2H3,(H3,17,18,19).
What are the key properties of 5-(2-bromofuran-3-yl)-4-(2-methoxy-5-methylphenyl)-1H-pyrazol-3-amine?
5-(2-bromofuran-3-yl)-4-(2-methoxy-5-methylphenyl)-1H-pyrazol-3-amine has a molecular weight of 348.20 g/mol, XLogP of 4.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromofuran-3-yl)-4-(2-methoxy-5-methylphenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 106854526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).