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

C14H12BrN3O2 — CID 106854527

IUPAC5-(2-bromofuran-3-yl)-4-(4-methoxyphenyl)-1H-pyrazol-3-amine
SMILESCOc1ccc(-c2c(N)n[nH]c2-c2ccoc2Br)cc1
InChIInChI=1S/C14H12BrN3O2/c1-19-9-4-2-8(3-5-9)11-12(17-18-14(11)16)10-6-7-20-13(10)15/h2-7H,1H3,(H3,16,17,18)
InChIKeyDEFRTZCSQXQQID-UHFFFAOYSA-N
MW334.17 g/mol
LogP3.69
Rot. Bonds3

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

5-(2-bromofuran-3-yl)-4-(4-methoxyphenyl)-1H-pyrazol-3-amine (PubChem CID 106854527) has the molecular formula C14H12BrN3O2 and a molecular weight of 334.17 g/mol. Its IUPAC name is 5-(2-bromofuran-3-yl)-4-(4-methoxyphenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(2-bromofuran-3-yl)-4-(4-methoxyphenyl)-1H-pyrazol-3-amine
PubChem CID106854527
Molecular FormulaC14H12BrN3O2
Molecular Weight334.17 g/mol
Exact Mass333.01
IUPAC Name5-(2-bromofuran-3-yl)-4-(4-methoxyphenyl)-1H-pyrazol-3-amine
SMILESCOc1ccc(-c2c(N)n[nH]c2-c2ccoc2Br)cc1
InChIInChI=1S/C14H12BrN3O2/c1-19-9-4-2-8(3-5-9)11-12(17-18-14(11)16)10-6-7-20-13(10)15/h2-7H,1H3,(H3,16,17,18)
InChIKeyDEFRTZCSQXQQID-UHFFFAOYSA-N
XLogP3.69
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.17
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-bromofuran-3-yl)-4-(2-methoxy-5-methylphenyl)-1H-pyrazol-3-amine
CID 106854526
4-(4-bromophenyl)-5-(2-chlorofuran-3-yl)-1H-pyrazol-3-amine
CID 106687498
4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-amine;hydrochloride
CID 75530669
4-iodo-5-(4-methoxyphenyl)-1H-pyrazol-3-amine
CID 3705848
3-amino-4-(4-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 82082689
4-(4-methoxyphenyl)-5-(oxan-4-yl)-1H-pyrazol-3-amine
CID 62907421
5-(4-fluorophenyl)-4-(3-methoxyphenyl)-1H-pyrazol-3-amine
CID 61261996
5-(2-bromo-5-fluorophenyl)-4-(4-methylphenyl)-1H-pyrazol-3-amine
CID 62830309
4-(4-methoxyphenyl)-5-(1-methylsulfonylethyl)-1H-pyrazol-3-amine
CID 104519640
5-(2-bromo-5-methylphenyl)-4-(4-chlorophenyl)-1H-pyrazol-3-amine
CID 81110725
5-benzyl-4-(4-methoxyphenyl)-1H-pyrazol-3-amine
CID 6456520
5-(4-bromo-2-chlorophenyl)-4-(4-chlorophenyl)-1H-pyrazol-3-amine
CID 43805557

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromofuran-3-yl)-4-(4-methoxyphenyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(2-bromofuran-3-yl)-4-(4-methoxyphenyl)-1H-pyrazol-3-amine (CID 106854527) is 5-(2-bromofuran-3-yl)-4-(4-methoxyphenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(2-bromofuran-3-yl)-4-(4-methoxyphenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(2-bromofuran-3-yl)-4-(4-methoxyphenyl)-1H-pyrazol-3-amine is COc1ccc(-c2c(N)n[nH]c2-c2ccoc2Br)cc1.
What is the InChIKey of 5-(2-bromofuran-3-yl)-4-(4-methoxyphenyl)-1H-pyrazol-3-amine?
The InChIKey is DEFRTZCSQXQQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3O2/c1-19-9-4-2-8(3-5-9)11-12(17-18-14(11)16)10-6-7-20-13(10)15/h2-7H,1H3,(H3,16,17,18).
What are the key properties of 5-(2-bromofuran-3-yl)-4-(4-methoxyphenyl)-1H-pyrazol-3-amine?
5-(2-bromofuran-3-yl)-4-(4-methoxyphenyl)-1H-pyrazol-3-amine has a molecular weight of 334.17 g/mol, XLogP of 3.69, 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-(4-methoxyphenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 106854527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).