4-bromo-1-[(2,5-dichlorophenyl)methyl]pyrazol-3-amine

C10H8BrCl2N3 — CID 65317657

IUPAC4-bromo-1-[(2,5-dichlorophenyl)methyl]pyrazol-3-amine
SMILESNc1nn(Cc2cc(Cl)ccc2Cl)cc1Br
InChIInChI=1S/C10H8BrCl2N3/c11-8-5-16(15-10(8)14)4-6-3-7(12)1-2-9(6)13/h1-3,5H,4H2,(H2,14,15)
InChIKeyIBDHAIOTKJQVLF-UHFFFAOYSA-N
MW321.01 g/mol
LogP3.58
Rot. Bonds2

About 4-bromo-1-[(2,5-dichlorophenyl)methyl]pyrazol-3-amine

4-bromo-1-[(2,5-dichlorophenyl)methyl]pyrazol-3-amine (PubChem CID 65317657) has the molecular formula C10H8BrCl2N3 and a molecular weight of 321.01 g/mol. Its IUPAC name is 4-bromo-1-[(2,5-dichlorophenyl)methyl]pyrazol-3-amine.

Molecular Properties

Compound Name4-bromo-1-[(2,5-dichlorophenyl)methyl]pyrazol-3-amine
PubChem CID65317657
Molecular FormulaC10H8BrCl2N3
Molecular Weight321.01 g/mol
Exact Mass318.93
IUPAC Name4-bromo-1-[(2,5-dichlorophenyl)methyl]pyrazol-3-amine
SMILESNc1nn(Cc2cc(Cl)ccc2Cl)cc1Br
InChIInChI=1S/C10H8BrCl2N3/c11-8-5-16(15-10(8)14)4-6-3-7(12)1-2-9(6)13/h1-3,5H,4H2,(H2,14,15)
InChIKeyIBDHAIOTKJQVLF-UHFFFAOYSA-N
XLogP3.58
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.01
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-1-[(5-bromo-2-fluorophenyl)methyl]pyrazol-3-amine
CID 61175428
1-[(2,5-dichlorophenyl)methyl]pyrazol-3-amine
CID 42281976
1-[(2,5-dichlorophenyl)methyl]pyrazole-4-sulfonamide
CID 81340006
1-[1-[(2,5-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]ethanamine
CID 105359536
[1-[(2,5-dichlorophenyl)methyl]triazol-4-yl]methanol
CID 65318810
1-[4-bromo-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(3,4-dichlorophenyl)thiourea
CID 19399092
4-bromo-1-[(3,4-dimethoxyphenyl)methyl]pyrazol-3-amine
CID 61175429
5-bromo-1-[(2,5-dichlorophenyl)methyl]pyrimidine-2,4-dione
CID 65321201
3-(4-chlorophenyl)-1-[(2-chlorophenyl)methyl]pyrazol-4-amine
CID 83203348
N-[4-bromo-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]ethanesulfonamide
CID 22206646
4-bromo-1-(4-chlorophenyl)pyrazol-3-amine
CID 83867278
4-bromo-1-[(5-ethylthiophen-2-yl)methyl]pyrazol-3-amine
CID 61176947

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-[(2,5-dichlorophenyl)methyl]pyrazol-3-amine?
The IUPAC name of 4-bromo-1-[(2,5-dichlorophenyl)methyl]pyrazol-3-amine (CID 65317657) is 4-bromo-1-[(2,5-dichlorophenyl)methyl]pyrazol-3-amine.
What is the SMILES notation for 4-bromo-1-[(2,5-dichlorophenyl)methyl]pyrazol-3-amine?
The canonical SMILES for 4-bromo-1-[(2,5-dichlorophenyl)methyl]pyrazol-3-amine is Nc1nn(Cc2cc(Cl)ccc2Cl)cc1Br.
What is the InChIKey of 4-bromo-1-[(2,5-dichlorophenyl)methyl]pyrazol-3-amine?
The InChIKey is IBDHAIOTKJQVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrCl2N3/c11-8-5-16(15-10(8)14)4-6-3-7(12)1-2-9(6)13/h1-3,5H,4H2,(H2,14,15).
What are the key properties of 4-bromo-1-[(2,5-dichlorophenyl)methyl]pyrazol-3-amine?
4-bromo-1-[(2,5-dichlorophenyl)methyl]pyrazol-3-amine has a molecular weight of 321.01 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-[(2,5-dichlorophenyl)methyl]pyrazol-3-amine is sourced from PubChem (CID 65317657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).