[1-(3-bromophenyl)-5-chloropyrazol-4-yl]methanamine

C10H9BrClN3 — CID 115052372

IUPAC[1-(3-bromophenyl)-5-chloropyrazol-4-yl]methanamine
SMILESNCc1cnn(-c2cccc(Br)c2)c1Cl
InChIInChI=1S/C10H9BrClN3/c11-8-2-1-3-9(4-8)15-10(12)7(5-13)6-14-15/h1-4,6H,5,13H2
InChIKeyIUHKCWLHAKJMPK-UHFFFAOYSA-N
MW286.56 g/mol
LogP2.75
Rot. Bonds2

About [1-(3-bromophenyl)-5-chloropyrazol-4-yl]methanamine

[1-(3-bromophenyl)-5-chloropyrazol-4-yl]methanamine (PubChem CID 115052372) has the molecular formula C10H9BrClN3 and a molecular weight of 286.56 g/mol. Its IUPAC name is [1-(3-bromophenyl)-5-chloropyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-(3-bromophenyl)-5-chloropyrazol-4-yl]methanamine
PubChem CID115052372
Molecular FormulaC10H9BrClN3
Molecular Weight286.56 g/mol
Exact Mass284.97
IUPAC Name[1-(3-bromophenyl)-5-chloropyrazol-4-yl]methanamine
SMILESNCc1cnn(-c2cccc(Br)c2)c1Cl
InChIInChI=1S/C10H9BrClN3/c11-8-2-1-3-9(4-8)15-10(12)7(5-13)6-14-15/h1-4,6H,5,13H2
InChIKeyIUHKCWLHAKJMPK-UHFFFAOYSA-N
XLogP2.75
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.56
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3-bromophenyl)-5-ethylpyrazol-4-yl]methanamine
CID 66440713
[1-(3-bromophenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanamine
CID 66440508
4-(aminomethyl)-1-(3-chlorophenyl)pyrazol-5-amine
CID 115069399
1-(3-bromophenyl)-4-(chloromethyl)-5-(difluoromethyl)pyrazole
CID 66437064
4-(bromomethyl)-1-(3-bromophenyl)-5-propan-2-ylpyrazole
CID 66437281
[5-bromo-1-(3-methoxyphenyl)pyrazol-4-yl]methanamine
CID 115051851
2-[1-(3-bromophenyl)-5-methylpyrazol-4-yl]acetic acid
CID 82528327
1-(3-bromophenyl)-5-fluoropyrazol-4-amine
CID 115047671
3-[5-chloro-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]propan-1-amine
CID 115068409
1-(3-bromophenyl)-5-chlorotriazole
CID 115048343
[1-(3-chlorophenyl)-5-cyclopropylpyrazol-4-yl]methanamine
CID 66441286
2-[1-(3-bromophenyl)-5-methoxypyrazol-4-yl]ethanol
CID 115069018

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromophenyl)-5-chloropyrazol-4-yl]methanamine?
The IUPAC name of [1-(3-bromophenyl)-5-chloropyrazol-4-yl]methanamine (CID 115052372) is [1-(3-bromophenyl)-5-chloropyrazol-4-yl]methanamine.
What is the SMILES notation for [1-(3-bromophenyl)-5-chloropyrazol-4-yl]methanamine?
The canonical SMILES for [1-(3-bromophenyl)-5-chloropyrazol-4-yl]methanamine is NCc1cnn(-c2cccc(Br)c2)c1Cl.
What is the InChIKey of [1-(3-bromophenyl)-5-chloropyrazol-4-yl]methanamine?
The InChIKey is IUHKCWLHAKJMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrClN3/c11-8-2-1-3-9(4-8)15-10(12)7(5-13)6-14-15/h1-4,6H,5,13H2.
What are the key properties of [1-(3-bromophenyl)-5-chloropyrazol-4-yl]methanamine?
[1-(3-bromophenyl)-5-chloropyrazol-4-yl]methanamine has a molecular weight of 286.56 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromophenyl)-5-chloropyrazol-4-yl]methanamine is sourced from PubChem (CID 115052372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).