3-bromo-5-chloro-1-methylpyrazol-4-amine

C4H5BrClN3 — CID 84677979

IUPAC3-bromo-5-chloro-1-methylpyrazol-4-amine
SMILESCn1nc(Br)c(N)c1Cl
InChIInChI=1S/C4H5BrClN3/c1-9-4(6)2(7)3(5)8-9/h7H2,1H3
InChIKeyBMHJJWCZLRZAKG-UHFFFAOYSA-N
MW210.46 g/mol
LogP1.42
Rot. Bonds

About 3-bromo-5-chloro-1-methylpyrazol-4-amine

3-bromo-5-chloro-1-methylpyrazol-4-amine (PubChem CID 84677979) has the molecular formula C4H5BrClN3 and a molecular weight of 210.46 g/mol. Its IUPAC name is 3-bromo-5-chloro-1-methylpyrazol-4-amine.

Molecular Properties

Compound Name3-bromo-5-chloro-1-methylpyrazol-4-amine
PubChem CID84677979
Molecular FormulaC4H5BrClN3
Molecular Weight210.46 g/mol
Exact Mass208.94
IUPAC Name3-bromo-5-chloro-1-methylpyrazol-4-amine
SMILESCn1nc(Br)c(N)c1Cl
InChIInChI=1S/C4H5BrClN3/c1-9-4(6)2(7)3(5)8-9/h7H2,1H3
InChIKeyBMHJJWCZLRZAKG-UHFFFAOYSA-N
XLogP1.42
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.46
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-5-chloro-1-methylpyrazole-4-carboxylic acid
CID 83824721
methyl 3-bromo-5-chloro-1-methylpyrazole-4-carboxylate
CID 84707948
3,4-dibromo-1-tert-butyl-5-chloropyrazole
CID 153449605
7-bromo-3-chloro-2-methylindazole
CID 68614934
3-bromo-4,6-dichloro-1-methylpyrazolo[5,4-d]pyrimidine
CID 84715127
5-chloro-1,3,4-trimethylpyrazole;ethane
CID 143473362
3-bromo-5-chloro-1-methyl-1,2,4-triazole
CID 83678637
5-chloro-1-methyl-1,2,4-triazol-3-amine
CID 14221624
4-bromo-3-N,1-dimethylpyrazole-3,5-diamine
CID 83867118
5-chloro-1-methylimidazol-4-amine
CID 23064494
5-bromo-3-chloro-1-methylpyrazole
CID 84666517
3-bromo-1-methylpyrazolo[4,3-b]pyridin-6-amine
CID 84725904

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-1-methylpyrazol-4-amine?
The IUPAC name of 3-bromo-5-chloro-1-methylpyrazol-4-amine (CID 84677979) is 3-bromo-5-chloro-1-methylpyrazol-4-amine.
What is the SMILES notation for 3-bromo-5-chloro-1-methylpyrazol-4-amine?
The canonical SMILES for 3-bromo-5-chloro-1-methylpyrazol-4-amine is Cn1nc(Br)c(N)c1Cl.
What is the InChIKey of 3-bromo-5-chloro-1-methylpyrazol-4-amine?
The InChIKey is BMHJJWCZLRZAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5BrClN3/c1-9-4(6)2(7)3(5)8-9/h7H2,1H3.
What are the key properties of 3-bromo-5-chloro-1-methylpyrazol-4-amine?
3-bromo-5-chloro-1-methylpyrazol-4-amine has a molecular weight of 210.46 g/mol, XLogP of 1.42, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-1-methylpyrazol-4-amine is sourced from PubChem (CID 84677979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).