4-bromo-1-[(1,5-dimethylpyrazol-3-yl)methyl]pyrazol-3-amine

C9H12BrN5 — CID 165472779

IUPAC4-bromo-1-[(1,5-dimethylpyrazol-3-yl)methyl]pyrazol-3-amine
SMILESCc1cc(Cn2cc(Br)c(N)n2)nn1C
InChIInChI=1S/C9H12BrN5/c1-6-3-7(12-14(6)2)4-15-5-8(10)9(11)13-15/h3,5H,4H2,1-2H3,(H2,11,13)
InChIKeyIUHGMMHXQRBLGB-UHFFFAOYSA-N
MW270.13 g/mol
LogP1.32
Rot. Bonds2

About 4-bromo-1-[(1,5-dimethylpyrazol-3-yl)methyl]pyrazol-3-amine

4-bromo-1-[(1,5-dimethylpyrazol-3-yl)methyl]pyrazol-3-amine (PubChem CID 165472779) has the molecular formula C9H12BrN5 and a molecular weight of 270.13 g/mol. Its IUPAC name is 4-bromo-1-[(1,5-dimethylpyrazol-3-yl)methyl]pyrazol-3-amine.

Molecular Properties

Compound Name4-bromo-1-[(1,5-dimethylpyrazol-3-yl)methyl]pyrazol-3-amine
PubChem CID165472779
Molecular FormulaC9H12BrN5
Molecular Weight270.13 g/mol
Exact Mass269.03
IUPAC Name4-bromo-1-[(1,5-dimethylpyrazol-3-yl)methyl]pyrazol-3-amine
SMILESCc1cc(Cn2cc(Br)c(N)n2)nn1C
InChIInChI=1S/C9H12BrN5/c1-6-3-7(12-14(6)2)4-15-5-8(10)9(11)13-15/h3,5H,4H2,1-2H3,(H2,11,13)
InChIKeyIUHGMMHXQRBLGB-UHFFFAOYSA-N
XLogP1.32
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-1-[(1-methylpyrazol-3-yl)methyl]pyrazol-3-amine
CID 82866303
4-chloro-1-[(5-chloro-1-methylpyrazol-3-yl)methyl]pyrazol-3-amine
CID 165479577
(1,5-dimethylpyrazol-3-yl)methanamine;hydrochloride
CID 45157159
4-bromo-1-(methoxymethyl)pyrazol-3-amine
CID 65364325
4-bromo-1-[(3,4-dimethoxyphenyl)methyl]pyrazol-3-amine
CID 61175429
4-bromo-1-[(5-ethylthiophen-2-yl)methyl]pyrazol-3-amine
CID 61176947
3-(iodomethyl)-1,5-dimethylpyrazole
CID 90127080
4-bromo-1-[2-(3-methylbutoxy)ethyl]pyrazol-3-amine
CID 61484239
4-bromo-1-[(5-bromo-2-fluorophenyl)methyl]pyrazol-3-amine
CID 61175428
4-bromo-1-[(2,5-dichlorophenyl)methyl]pyrazol-3-amine
CID 65317657
4-bromo-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazol-3-amine
CID 82892603
1-(3-amino-4-bromopyrazol-1-yl)propan-2-ol
CID 65277437

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-[(1,5-dimethylpyrazol-3-yl)methyl]pyrazol-3-amine?
The IUPAC name of 4-bromo-1-[(1,5-dimethylpyrazol-3-yl)methyl]pyrazol-3-amine (CID 165472779) is 4-bromo-1-[(1,5-dimethylpyrazol-3-yl)methyl]pyrazol-3-amine.
What is the SMILES notation for 4-bromo-1-[(1,5-dimethylpyrazol-3-yl)methyl]pyrazol-3-amine?
The canonical SMILES for 4-bromo-1-[(1,5-dimethylpyrazol-3-yl)methyl]pyrazol-3-amine is Cc1cc(Cn2cc(Br)c(N)n2)nn1C.
What is the InChIKey of 4-bromo-1-[(1,5-dimethylpyrazol-3-yl)methyl]pyrazol-3-amine?
The InChIKey is IUHGMMHXQRBLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN5/c1-6-3-7(12-14(6)2)4-15-5-8(10)9(11)13-15/h3,5H,4H2,1-2H3,(H2,11,13).
What are the key properties of 4-bromo-1-[(1,5-dimethylpyrazol-3-yl)methyl]pyrazol-3-amine?
4-bromo-1-[(1,5-dimethylpyrazol-3-yl)methyl]pyrazol-3-amine has a molecular weight of 270.13 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-[(1,5-dimethylpyrazol-3-yl)methyl]pyrazol-3-amine is sourced from PubChem (CID 165472779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).