4-bromo-1-[(1-methylpyrazol-3-yl)methyl]pyrazol-3-amine

C8H10BrN5 — CID 82866303

IUPAC4-bromo-1-[(1-methylpyrazol-3-yl)methyl]pyrazol-3-amine
SMILESCn1ccc(Cn2cc(Br)c(N)n2)n1
InChIInChI=1S/C8H10BrN5/c1-13-3-2-6(11-13)4-14-5-7(9)8(10)12-14/h2-3,5H,4H2,1H3,(H2,10,12)
InChIKeySAFGQPOOQSSTTK-UHFFFAOYSA-N
MW256.11 g/mol
LogP1.01
Rot. Bonds2

About 4-bromo-1-[(1-methylpyrazol-3-yl)methyl]pyrazol-3-amine

4-bromo-1-[(1-methylpyrazol-3-yl)methyl]pyrazol-3-amine (PubChem CID 82866303) has the molecular formula C8H10BrN5 and a molecular weight of 256.11 g/mol. Its IUPAC name is 4-bromo-1-[(1-methylpyrazol-3-yl)methyl]pyrazol-3-amine.

Molecular Properties

Compound Name4-bromo-1-[(1-methylpyrazol-3-yl)methyl]pyrazol-3-amine
PubChem CID82866303
Molecular FormulaC8H10BrN5
Molecular Weight256.11 g/mol
Exact Mass255.01
IUPAC Name4-bromo-1-[(1-methylpyrazol-3-yl)methyl]pyrazol-3-amine
SMILESCn1ccc(Cn2cc(Br)c(N)n2)n1
InChIInChI=1S/C8H10BrN5/c1-13-3-2-6(11-13)4-14-5-7(9)8(10)12-14/h2-3,5H,4H2,1H3,(H2,10,12)
InChIKeySAFGQPOOQSSTTK-UHFFFAOYSA-N
XLogP1.01
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.11
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-bromo-1-[(1-methylpyrazol-3-yl)methyl]pyrazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-1-[(1,5-dimethylpyrazol-3-yl)methyl]pyrazol-3-amine
CID 165472779
4-(bromomethyl)-1-[(1-methylpyrazol-3-yl)methyl]triazole
CID 82877316
4-bromo-1-[(5-ethylthiophen-2-yl)methyl]pyrazol-3-amine
CID 61176947
4-bromo-1-(methoxymethyl)pyrazol-3-amine
CID 65364325
6-(3-amino-4-bromopyrazol-1-yl)hexanenitrile
CID 165473338
1-methyl-3-(pyrrol-1-ylmethyl)pyrazole
CID 82872029
4-bromo-1-[(3,4-dimethoxyphenyl)methyl]pyrazol-3-amine
CID 61175429
3-bromo-1-[(1-methylpyrazol-3-yl)methyl]pyridin-2-one
CID 114761326
N-[[3-methyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]methyl]ethanamine
CID 82871442
4-bromo-1-[2-(3-methylbutoxy)ethyl]pyrazol-3-amine
CID 61484239
4-bromo-1-(2-pyrazin-2-ylethyl)pyrazol-3-amine
CID 165472410
4-bromo-1-[(5-bromo-2-fluorophenyl)methyl]pyrazol-3-amine
CID 61175428

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-[(1-methylpyrazol-3-yl)methyl]pyrazol-3-amine?
The IUPAC name of 4-bromo-1-[(1-methylpyrazol-3-yl)methyl]pyrazol-3-amine (CID 82866303) is 4-bromo-1-[(1-methylpyrazol-3-yl)methyl]pyrazol-3-amine.
What is the SMILES notation for 4-bromo-1-[(1-methylpyrazol-3-yl)methyl]pyrazol-3-amine?
The canonical SMILES for 4-bromo-1-[(1-methylpyrazol-3-yl)methyl]pyrazol-3-amine is Cn1ccc(Cn2cc(Br)c(N)n2)n1.
What is the InChIKey of 4-bromo-1-[(1-methylpyrazol-3-yl)methyl]pyrazol-3-amine?
The InChIKey is SAFGQPOOQSSTTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN5/c1-13-3-2-6(11-13)4-14-5-7(9)8(10)12-14/h2-3,5H,4H2,1H3,(H2,10,12).
What are the key properties of 4-bromo-1-[(1-methylpyrazol-3-yl)methyl]pyrazol-3-amine?
4-bromo-1-[(1-methylpyrazol-3-yl)methyl]pyrazol-3-amine has a molecular weight of 256.11 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-[(1-methylpyrazol-3-yl)methyl]pyrazol-3-amine is sourced from PubChem (CID 82866303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).