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

C13H14BrN3O — CID 113392123

IUPAC4-(3-bromophenyl)-5-(oxolan-2-yl)-1H-pyrazol-3-amine
SMILESNc1n[nH]c(C2CCCO2)c1-c1cccc(Br)c1
InChIInChI=1S/C13H14BrN3O/c14-9-4-1-3-8(7-9)11-12(16-17-13(11)15)10-5-2-6-18-10/h1,3-4,7,10H,2,5-6H2,(H3,15,16,17)
InChIKeyARLIQXCBFPZKOP-UHFFFAOYSA-N
MW308.18 g/mol
LogP3.27
Rot. Bonds2

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

4-(3-bromophenyl)-5-(oxolan-2-yl)-1H-pyrazol-3-amine (PubChem CID 113392123) has the molecular formula C13H14BrN3O and a molecular weight of 308.18 g/mol. Its IUPAC name is 4-(3-bromophenyl)-5-(oxolan-2-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-(3-bromophenyl)-5-(oxolan-2-yl)-1H-pyrazol-3-amine
PubChem CID113392123
Molecular FormulaC13H14BrN3O
Molecular Weight308.18 g/mol
Exact Mass307.03
IUPAC Name4-(3-bromophenyl)-5-(oxolan-2-yl)-1H-pyrazol-3-amine
SMILESNc1n[nH]c(C2CCCO2)c1-c1cccc(Br)c1
InChIInChI=1S/C13H14BrN3O/c14-9-4-1-3-8(7-9)11-12(16-17-13(11)15)10-5-2-6-18-10/h1,3-4,7,10H,2,5-6H2,(H3,15,16,17)
InChIKeyARLIQXCBFPZKOP-UHFFFAOYSA-N
XLogP3.27
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-5-(oxolan-2-yl)-1H-pyrazol-3-amine?
The IUPAC name of 4-(3-bromophenyl)-5-(oxolan-2-yl)-1H-pyrazol-3-amine (CID 113392123) is 4-(3-bromophenyl)-5-(oxolan-2-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for 4-(3-bromophenyl)-5-(oxolan-2-yl)-1H-pyrazol-3-amine?
The canonical SMILES for 4-(3-bromophenyl)-5-(oxolan-2-yl)-1H-pyrazol-3-amine is Nc1n[nH]c(C2CCCO2)c1-c1cccc(Br)c1.
What is the InChIKey of 4-(3-bromophenyl)-5-(oxolan-2-yl)-1H-pyrazol-3-amine?
The InChIKey is ARLIQXCBFPZKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O/c14-9-4-1-3-8(7-9)11-12(16-17-13(11)15)10-5-2-6-18-10/h1,3-4,7,10H,2,5-6H2,(H3,15,16,17).
What are the key properties of 4-(3-bromophenyl)-5-(oxolan-2-yl)-1H-pyrazol-3-amine?
4-(3-bromophenyl)-5-(oxolan-2-yl)-1H-pyrazol-3-amine has a molecular weight of 308.18 g/mol, XLogP of 3.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-5-(oxolan-2-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 113392123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).