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

C4H6BrN3 — CID 1241299

IUPAC4-bromo-5-methyl-1H-pyrazol-3-amine
SMILESCc1[nH]nc(N)c1Br
InChIInChI=1S/C4H6BrN3/c1-2-3(5)4(6)8-7-2/h1H3,(H3,6,7,8)
InChIKeyWZMBDMWFVPKYCF-UHFFFAOYSA-N
MW176.02 g/mol
LogP1.06
Rot. Bonds

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

4-bromo-5-methyl-1H-pyrazol-3-amine (PubChem CID 1241299) has the molecular formula C4H6BrN3 and a molecular weight of 176.02 g/mol. Its IUPAC name is 4-bromo-5-methyl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-bromo-5-methyl-1H-pyrazol-3-amine
PubChem CID1241299
Molecular FormulaC4H6BrN3
Molecular Weight176.02 g/mol
Exact Mass174.97
IUPAC Name4-bromo-5-methyl-1H-pyrazol-3-amine
SMILESCc1[nH]nc(N)c1Br
InChIInChI=1S/C4H6BrN3/c1-2-3(5)4(6)8-7-2/h1H3,(H3,6,7,8)
InChIKeyWZMBDMWFVPKYCF-UHFFFAOYSA-N
XLogP1.06
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.02
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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
4,5-dimethyl-1H-pyrazol-3-amine
CID 4737029
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-amine bromide
CID 45108504
(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

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-methyl-1H-pyrazol-3-amine?
The IUPAC name of 4-bromo-5-methyl-1H-pyrazol-3-amine (CID 1241299) is 4-bromo-5-methyl-1H-pyrazol-3-amine.
What is the SMILES notation for 4-bromo-5-methyl-1H-pyrazol-3-amine?
The canonical SMILES for 4-bromo-5-methyl-1H-pyrazol-3-amine is Cc1[nH]nc(N)c1Br.
What is the InChIKey of 4-bromo-5-methyl-1H-pyrazol-3-amine?
The InChIKey is WZMBDMWFVPKYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6BrN3/c1-2-3(5)4(6)8-7-2/h1H3,(H3,6,7,8).
What are the key properties of 4-bromo-5-methyl-1H-pyrazol-3-amine?
4-bromo-5-methyl-1H-pyrazol-3-amine has a molecular weight of 176.02 g/mol, XLogP of 1.06, 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 is sourced from PubChem (CID 1241299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).