4-(4-bromo-3-fluorophenyl)-1-methylpyrazol-5-amine

C10H9BrFN3 — CID 117428222

IUPAC4-(4-bromo-3-fluorophenyl)-1-methylpyrazol-5-amine
SMILESCn1ncc(-c2ccc(Br)c(F)c2)c1N
InChIInChI=1S/C10H9BrFN3/c1-15-10(13)7(5-14-15)6-2-3-8(11)9(12)4-6/h2-5H,13H2,1H3
InChIKeyQZPKMSZRADQAPH-UHFFFAOYSA-N
MW270.11 g/mol
LogP2.57
Rot. Bonds1

About 4-(4-bromo-3-fluorophenyl)-1-methylpyrazol-5-amine

4-(4-bromo-3-fluorophenyl)-1-methylpyrazol-5-amine (PubChem CID 117428222) has the molecular formula C10H9BrFN3 and a molecular weight of 270.11 g/mol. Its IUPAC name is 4-(4-bromo-3-fluorophenyl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-(4-bromo-3-fluorophenyl)-1-methylpyrazol-5-amine
PubChem CID117428222
Molecular FormulaC10H9BrFN3
Molecular Weight270.11 g/mol
Exact Mass269.00
IUPAC Name4-(4-bromo-3-fluorophenyl)-1-methylpyrazol-5-amine
SMILESCn1ncc(-c2ccc(Br)c(F)c2)c1N
InChIInChI=1S/C10H9BrFN3/c1-15-10(13)7(5-14-15)6-2-3-8(11)9(12)4-6/h2-5H,13H2,1H3
InChIKeyQZPKMSZRADQAPH-UHFFFAOYSA-N
XLogP2.57
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.11
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-bromo-4,5-difluorophenyl)-1-methylpyrazol-5-amine
CID 117464596
4-[3-(dimethylamino)-4-fluorophenyl]-1-methylpyrazol-5-amine
CID 115112491
4-(3-fluoro-4-pentan-3-ylphenyl)-1-methylpyrazol-5-amine
CID 117407893
4-(3-bromo-4-cyclopropylphenyl)-1-methylpyrazol-5-amine
CID 117471763
4-(3,4-dimethylphenyl)-1-methylpyrazol-5-amine
CID 62901487
5-(5-amino-1-methylpyrazol-4-yl)-3-fluorobenzene-1,2-diol
CID 117319162
4-(3-fluoro-4-phenylmethoxyphenyl)-1-methylpyrazol-5-amine
CID 117478888
1-methyl-4-(1-methylbenzotriazol-5-yl)pyrazol-5-amine
CID 117328812
4-(3-chloro-5-fluoro-4-methylphenyl)-1-methylpyrazol-5-amine
CID 117351877
4-(2-bromo-3,4-difluorophenyl)-1-methylpyrazol-5-amine
CID 117464605
4-(3-chloro-4-methylsulfanylphenyl)-1-methylpyrazol-5-amine
CID 117387554
4-(3-bromo-5-ethyl-2-fluorophenyl)-1-methylpyrazol-5-amine
CID 117479931

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-3-fluorophenyl)-1-methylpyrazol-5-amine?
The IUPAC name of 4-(4-bromo-3-fluorophenyl)-1-methylpyrazol-5-amine (CID 117428222) is 4-(4-bromo-3-fluorophenyl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-(4-bromo-3-fluorophenyl)-1-methylpyrazol-5-amine?
The canonical SMILES for 4-(4-bromo-3-fluorophenyl)-1-methylpyrazol-5-amine is Cn1ncc(-c2ccc(Br)c(F)c2)c1N.
What is the InChIKey of 4-(4-bromo-3-fluorophenyl)-1-methylpyrazol-5-amine?
The InChIKey is QZPKMSZRADQAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrFN3/c1-15-10(13)7(5-14-15)6-2-3-8(11)9(12)4-6/h2-5H,13H2,1H3.
What are the key properties of 4-(4-bromo-3-fluorophenyl)-1-methylpyrazol-5-amine?
4-(4-bromo-3-fluorophenyl)-1-methylpyrazol-5-amine has a molecular weight of 270.11 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-3-fluorophenyl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 117428222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).