N'-[5-(4-bromophenyl)-1H-pyrazol-4-yl]ethane-1,2-diamine

C11H13BrN4 — CID 117209938

IUPACN'-[5-(4-bromophenyl)-1H-pyrazol-4-yl]ethane-1,2-diamine
SMILESNCCNc1cn[nH]c1-c1ccc(Br)cc1
InChIInChI=1S/C11H13BrN4/c12-9-3-1-8(2-4-9)11-10(7-15-16-11)14-6-5-13/h1-4,7,14H,5-6,13H2,(H,15,16)
InChIKeyHHLMPSTYNLIMOF-UHFFFAOYSA-N
MW281.16 g/mol
LogP2.21
Rot. Bonds4

About N'-[5-(4-bromophenyl)-1H-pyrazol-4-yl]ethane-1,2-diamine

N'-[5-(4-bromophenyl)-1H-pyrazol-4-yl]ethane-1,2-diamine (PubChem CID 117209938) has the molecular formula C11H13BrN4 and a molecular weight of 281.16 g/mol. Its IUPAC name is N'-[5-(4-bromophenyl)-1H-pyrazol-4-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[5-(4-bromophenyl)-1H-pyrazol-4-yl]ethane-1,2-diamine
PubChem CID117209938
Molecular FormulaC11H13BrN4
Molecular Weight281.16 g/mol
Exact Mass280.03
IUPAC NameN'-[5-(4-bromophenyl)-1H-pyrazol-4-yl]ethane-1,2-diamine
SMILESNCCNc1cn[nH]c1-c1ccc(Br)cc1
InChIInChI=1S/C11H13BrN4/c12-9-3-1-8(2-4-9)11-10(7-15-16-11)14-6-5-13/h1-4,7,14H,5-6,13H2,(H,15,16)
InChIKeyHHLMPSTYNLIMOF-UHFFFAOYSA-N
XLogP2.21
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.16
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]ethane-1,2-diamine
CID 117209943
5-(4-bromophenyl)-4-fluoro-1H-pyrazole
CID 136576038
N'-[2-(4-bromophenyl)pyrimidin-5-yl]ethane-1,2-diamine
CID 117212350
5-[4-(2-aminoethylamino)-1H-pyrazol-5-yl]-4-[(4-bromofuran-2-yl)methyl]-2-iodo-4H-pyrazol-3-one
CID 141259623
2-[[5-[4-(3-bromo-4-fluorophenyl)-1H-pyrazol-5-yl]-1H-pyrazol-4-yl]amino]ethanol
CID 141367855
N'-[6-(4-bromophenyl)pyridazin-3-yl]ethane-1,2-diamine
CID 82191433
5-bromo-2-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]aniline
CID 60780882
N'-(5-cyclohexyl-1H-pyrazol-4-yl)ethane-1,2-diamine
CID 117209801
4-(4-bromophenyl)-1H-pyrazol-5-amine
CID 17390115
N'-[3-(4-bromophenyl)-6-(4-chlorophenyl)-1,2,4-triazin-5-yl]ethane-1,2-diamine
CID 171981751
4-(4-bromophenyl)-5-iodo-1H-pyrazole
CID 165452201
6-N-(2-aminoethyl)-1H-indazole-5,6-diamine
CID 107490038

Frequently Asked Questions

What is the IUPAC name of N'-[5-(4-bromophenyl)-1H-pyrazol-4-yl]ethane-1,2-diamine?
The IUPAC name of N'-[5-(4-bromophenyl)-1H-pyrazol-4-yl]ethane-1,2-diamine (CID 117209938) is N'-[5-(4-bromophenyl)-1H-pyrazol-4-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-[5-(4-bromophenyl)-1H-pyrazol-4-yl]ethane-1,2-diamine?
The canonical SMILES for N'-[5-(4-bromophenyl)-1H-pyrazol-4-yl]ethane-1,2-diamine is NCCNc1cn[nH]c1-c1ccc(Br)cc1.
What is the InChIKey of N'-[5-(4-bromophenyl)-1H-pyrazol-4-yl]ethane-1,2-diamine?
The InChIKey is HHLMPSTYNLIMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4/c12-9-3-1-8(2-4-9)11-10(7-15-16-11)14-6-5-13/h1-4,7,14H,5-6,13H2,(H,15,16).
What are the key properties of N'-[5-(4-bromophenyl)-1H-pyrazol-4-yl]ethane-1,2-diamine?
N'-[5-(4-bromophenyl)-1H-pyrazol-4-yl]ethane-1,2-diamine has a molecular weight of 281.16 g/mol, XLogP of 2.21, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-(4-bromophenyl)-1H-pyrazol-4-yl]ethane-1,2-diamine is sourced from PubChem (CID 117209938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).