4-(4-bromophenyl)-5-(2-chlorofuran-3-yl)-1H-pyrazol-3-amine

C13H9BrClN3O — CID 106687498

IUPAC4-(4-bromophenyl)-5-(2-chlorofuran-3-yl)-1H-pyrazol-3-amine
SMILESNc1n[nH]c(-c2ccoc2Cl)c1-c1ccc(Br)cc1
InChIInChI=1S/C13H9BrClN3O/c14-8-3-1-7(2-4-8)10-11(17-18-13(10)16)9-5-6-19-12(9)15/h1-6H,(H3,16,17,18)
InChIKeyRULQOIJJCPETGW-UHFFFAOYSA-N
MW338.59 g/mol
LogP4.33
Rot. Bonds2

About 4-(4-bromophenyl)-5-(2-chlorofuran-3-yl)-1H-pyrazol-3-amine

4-(4-bromophenyl)-5-(2-chlorofuran-3-yl)-1H-pyrazol-3-amine (PubChem CID 106687498) has the molecular formula C13H9BrClN3O and a molecular weight of 338.59 g/mol. Its IUPAC name is 4-(4-bromophenyl)-5-(2-chlorofuran-3-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-(4-bromophenyl)-5-(2-chlorofuran-3-yl)-1H-pyrazol-3-amine
PubChem CID106687498
Molecular FormulaC13H9BrClN3O
Molecular Weight338.59 g/mol
Exact Mass336.96
IUPAC Name4-(4-bromophenyl)-5-(2-chlorofuran-3-yl)-1H-pyrazol-3-amine
SMILESNc1n[nH]c(-c2ccoc2Cl)c1-c1ccc(Br)cc1
InChIInChI=1S/C13H9BrClN3O/c14-8-3-1-7(2-4-8)10-11(17-18-13(10)16)9-5-6-19-12(9)15/h1-6H,(H3,16,17,18)
InChIKeyRULQOIJJCPETGW-UHFFFAOYSA-N
XLogP4.33
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.59
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-bromophenyl)-5-(2-chlorofuran-3-yl)-1,2-oxazol-3-amine
CID 106690627
5-(4-bromo-2-chlorophenyl)-4-(4-chlorophenyl)-1H-pyrazol-3-amine
CID 43805557
5-(2-bromofuran-3-yl)-4-(4-methoxyphenyl)-1H-pyrazol-3-amine
CID 106854527
4-(4-bromophenyl)-3-(2-chlorofuran-3-yl)-1,2-oxazol-5-amine
CID 106687946
5-(2-chlorophenyl)-4-(4-methylphenyl)-1H-pyrazol-3-amine
CID 62830136
5-(2-bromo-5-methylphenyl)-4-(4-chlorophenyl)-1H-pyrazol-3-amine
CID 81110725
5-(4-bromophenyl)-4-pyridin-2-yl-1H-pyrazol-3-amine
CID 80521103
5-(4-bromophenyl)-4,6-dichloro-2-(2-methylfuran-3-yl)pyrimidine
CID 104789183
4-(3-bromophenyl)-5-(4-chloro-3-fluorophenyl)-1H-pyrazol-3-amine
CID 107988589
4-(3-bromophenyl)-5-(2-chloro-3-fluorophenyl)-1H-pyrazol-3-amine
CID 81454272
5-(2-bromo-5-fluorophenyl)-4-(4-methylphenyl)-1H-pyrazol-3-amine
CID 62830309
4-(2-bromophenyl)-5-(2-chlorophenyl)-1H-pyrazol-3-amine
CID 62829467

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-5-(2-chlorofuran-3-yl)-1H-pyrazol-3-amine?
The IUPAC name of 4-(4-bromophenyl)-5-(2-chlorofuran-3-yl)-1H-pyrazol-3-amine (CID 106687498) is 4-(4-bromophenyl)-5-(2-chlorofuran-3-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for 4-(4-bromophenyl)-5-(2-chlorofuran-3-yl)-1H-pyrazol-3-amine?
The canonical SMILES for 4-(4-bromophenyl)-5-(2-chlorofuran-3-yl)-1H-pyrazol-3-amine is Nc1n[nH]c(-c2ccoc2Cl)c1-c1ccc(Br)cc1.
What is the InChIKey of 4-(4-bromophenyl)-5-(2-chlorofuran-3-yl)-1H-pyrazol-3-amine?
The InChIKey is RULQOIJJCPETGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClN3O/c14-8-3-1-7(2-4-8)10-11(17-18-13(10)16)9-5-6-19-12(9)15/h1-6H,(H3,16,17,18).
What are the key properties of 4-(4-bromophenyl)-5-(2-chlorofuran-3-yl)-1H-pyrazol-3-amine?
4-(4-bromophenyl)-5-(2-chlorofuran-3-yl)-1H-pyrazol-3-amine has a molecular weight of 338.59 g/mol, XLogP of 4.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-5-(2-chlorofuran-3-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 106687498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).