4-bromo-5-methyl-1H-pyrazol-2-ium-3-amine

C4H7BrN3+ — CID 135981404

IUPAC4-bromo-5-methyl-1H-pyrazol-2-ium-3-amine
SMILESCc1[nH][nH+]c(N)c1Br
InChIInChI=1S/C4H6BrN3/c1-2-3(5)4(6)8-7-2/h1H3,(H3,6,7,8)/p+1
InChIKeyWZMBDMWFVPKYCF-UHFFFAOYSA-O
MW177.03 g/mol
LogP0.48
Rot. Bonds

About 4-bromo-5-methyl-1H-pyrazol-2-ium-3-amine

4-bromo-5-methyl-1H-pyrazol-2-ium-3-amine (PubChem CID 135981404) has the molecular formula C4H7BrN3+ and a molecular weight of 177.03 g/mol. Its IUPAC name is 4-bromo-5-methyl-1H-pyrazol-2-ium-3-amine.

Molecular Properties

Compound Name4-bromo-5-methyl-1H-pyrazol-2-ium-3-amine
PubChem CID135981404
Molecular FormulaC4H7BrN3+
Molecular Weight177.03 g/mol
Exact Mass175.98
IUPAC Name4-bromo-5-methyl-1H-pyrazol-2-ium-3-amine
SMILESCc1[nH][nH+]c(N)c1Br
InChIInChI=1S/C4H6BrN3/c1-2-3(5)4(6)8-7-2/h1H3,(H3,6,7,8)/p+1
InChIKeyWZMBDMWFVPKYCF-UHFFFAOYSA-O
XLogP0.48
TPSA55.95 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.03
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-methyl-1H-pyrazol-2-ium-3-amine?
The IUPAC name of 4-bromo-5-methyl-1H-pyrazol-2-ium-3-amine (CID 135981404) is 4-bromo-5-methyl-1H-pyrazol-2-ium-3-amine.
What is the SMILES notation for 4-bromo-5-methyl-1H-pyrazol-2-ium-3-amine?
The canonical SMILES for 4-bromo-5-methyl-1H-pyrazol-2-ium-3-amine is Cc1[nH][nH+]c(N)c1Br.
What is the InChIKey of 4-bromo-5-methyl-1H-pyrazol-2-ium-3-amine?
The InChIKey is WZMBDMWFVPKYCF-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H6BrN3/c1-2-3(5)4(6)8-7-2/h1H3,(H3,6,7,8)/p+1.
What are the key properties of 4-bromo-5-methyl-1H-pyrazol-2-ium-3-amine?
4-bromo-5-methyl-1H-pyrazol-2-ium-3-amine has a molecular weight of 177.03 g/mol, XLogP of 0.48, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-methyl-1H-pyrazol-2-ium-3-amine is sourced from PubChem (CID 135981404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).