4-bromo-5-methyl-1H-pyrazol-3-amine bromide

C4H6Br2N3- — CID 45108504

IUPAC4-bromo-5-methyl-1H-pyrazol-3-amine bromide
SMILESCc1[nH]nc(N)c1Br.[Br-]
InChIInChI=1S/C4H6BrN3.BrH/c1-2-3(5)4(6)8-7-2;/h1H3,(H3,6,7,8);1H/p-1
InChIKeyUGCOULAJNKWOPX-UHFFFAOYSA-M
MW255.92 g/mol
LogP-1.93
Rot. Bonds

About 4-bromo-5-methyl-1H-pyrazol-3-amine bromide

4-bromo-5-methyl-1H-pyrazol-3-amine bromide (PubChem CID 45108504) has the molecular formula C4H6Br2N3- and a molecular weight of 255.92 g/mol. Its IUPAC name is 4-bromo-5-methyl-1H-pyrazol-3-amine bromide.

Molecular Properties

Compound Name4-bromo-5-methyl-1H-pyrazol-3-amine bromide
PubChem CID45108504
Molecular FormulaC4H6Br2N3-
Molecular Weight255.92 g/mol
Exact Mass253.89
IUPAC Name4-bromo-5-methyl-1H-pyrazol-3-amine bromide
SMILESCc1[nH]nc(N)c1Br.[Br-]
InChIInChI=1S/C4H6BrN3.BrH/c1-2-3(5)4(6)8-7-2;/h1H3,(H3,6,7,8);1H/p-1
InChIKeyUGCOULAJNKWOPX-UHFFFAOYSA-M
XLogP-1.93
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.92
LogP ≤ 5-1.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-Amino-4-bromo-5-methylpyrazole
CID 1241299
4-bromo-5-(trifluoromethyl)-1H-pyrazol-3-amine
CID 25247475
3,4-dibromo-5-methyl-1H-pyrazole
CID 4575242
5-Amino-4-bromo-3-methylpyrazole hydrobromide
CID 2778427
4-bromo-3-ethyl-1H-pyrazol-5-amine
CID 55254717
4-Bromo-3-fluoro-5-methyl-1H-pyrazole
CID 14849318
4-Fluoro-3-methyl-1H-pyrazol-5-amine
CID 118886597
4-bromo-5-methyl-1H-pyrazol-2-ium-3-amine bromide
CID 135504741
(4-bromo-5-methyl-1H-pyrazol-3-yl)hydrazine
CID 21680103
N'-(4-bromo-5-methyl-1H-pyrazol-3-yl)-N-hydroxymethanimidamide
CID 9899297
4-Iodo-5-methyl-1H-pyrazol-3-amine
CID 12831627
(4-bromo-5-methyl-1H-pyrazol-3-yl)imino-dimethyl-lambda4-sulfane
CID 21835120

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-methyl-1H-pyrazol-3-amine bromide?
The IUPAC name of 4-bromo-5-methyl-1H-pyrazol-3-amine bromide (CID 45108504) is 4-bromo-5-methyl-1H-pyrazol-3-amine bromide.
What is the SMILES notation for 4-bromo-5-methyl-1H-pyrazol-3-amine bromide?
The canonical SMILES for 4-bromo-5-methyl-1H-pyrazol-3-amine bromide is Cc1[nH]nc(N)c1Br.[Br-].
What is the InChIKey of 4-bromo-5-methyl-1H-pyrazol-3-amine bromide?
The InChIKey is UGCOULAJNKWOPX-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H6BrN3.BrH/c1-2-3(5)4(6)8-7-2;/h1H3,(H3,6,7,8);1H/p-1.
What are the key properties of 4-bromo-5-methyl-1H-pyrazol-3-amine bromide?
4-bromo-5-methyl-1H-pyrazol-3-amine bromide has a molecular weight of 255.92 g/mol, XLogP of -1.93, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-methyl-1H-pyrazol-3-amine bromide is sourced from PubChem (CID 45108504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).