4-(4-bromophenyl)-1H-pyrazol-5-amine

C9H8BrN3 — CID 17390115

IUPAC4-(4-bromophenyl)-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1-c1ccc(Br)cc1
InChIInChI=1S/C9H8BrN3/c10-7-3-1-6(2-4-7)8-5-12-13-9(8)11/h1-5H,(H3,11,12,13)
InChIKeyABKUXQSVMWMABM-UHFFFAOYSA-N
MW238.09 g/mol
LogP2.42
Rot. Bonds1

About 4-(4-bromophenyl)-1H-pyrazol-5-amine

4-(4-bromophenyl)-1H-pyrazol-5-amine (PubChem CID 17390115) has the molecular formula C9H8BrN3 and a molecular weight of 238.09 g/mol. Its IUPAC name is 4-(4-bromophenyl)-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-(4-bromophenyl)-1H-pyrazol-5-amine
PubChem CID17390115
Molecular FormulaC9H8BrN3
Molecular Weight238.09 g/mol
Exact Mass236.99
IUPAC Name4-(4-bromophenyl)-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1-c1ccc(Br)cc1
InChIInChI=1S/C9H8BrN3/c10-7-3-1-6(2-4-7)8-5-12-13-9(8)11/h1-5H,(H3,11,12,13)
InChIKeyABKUXQSVMWMABM-UHFFFAOYSA-N
XLogP2.42
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.09
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-1H-pyrazol-5-amine?
The IUPAC name of 4-(4-bromophenyl)-1H-pyrazol-5-amine (CID 17390115) is 4-(4-bromophenyl)-1H-pyrazol-5-amine.
What is the SMILES notation for 4-(4-bromophenyl)-1H-pyrazol-5-amine?
The canonical SMILES for 4-(4-bromophenyl)-1H-pyrazol-5-amine is Nc1[nH]ncc1-c1ccc(Br)cc1.
What is the InChIKey of 4-(4-bromophenyl)-1H-pyrazol-5-amine?
The InChIKey is ABKUXQSVMWMABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN3/c10-7-3-1-6(2-4-7)8-5-12-13-9(8)11/h1-5H,(H3,11,12,13).
What are the key properties of 4-(4-bromophenyl)-1H-pyrazol-5-amine?
4-(4-bromophenyl)-1H-pyrazol-5-amine has a molecular weight of 238.09 g/mol, XLogP of 2.42, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-1H-pyrazol-5-amine is sourced from PubChem (CID 17390115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).