3-(3-bromo-4-chlorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-amine

C15H12BrClN4 — CID 107988643

IUPAC3-(3-bromo-4-chlorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-amine
SMILESCn1nc(-c2ccc(Cl)c(Br)c2)c(-c2ccncc2)c1N
InChIInChI=1S/C15H12BrClN4/c1-21-15(18)13(9-4-6-19-7-5-9)14(20-21)10-2-3-12(17)11(16)8-10/h2-8H,18H2,1H3
InChIKeyDUDXDDOLCYUFLZ-UHFFFAOYSA-N
MW363.65 g/mol
LogP4.15
Rot. Bonds2

About 3-(3-bromo-4-chlorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-amine

3-(3-bromo-4-chlorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-amine (PubChem CID 107988643) has the molecular formula C15H12BrClN4 and a molecular weight of 363.65 g/mol. Its IUPAC name is 3-(3-bromo-4-chlorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-amine.

Molecular Properties

Compound Name3-(3-bromo-4-chlorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-amine
PubChem CID107988643
Molecular FormulaC15H12BrClN4
Molecular Weight363.65 g/mol
Exact Mass361.99
IUPAC Name3-(3-bromo-4-chlorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-amine
SMILESCn1nc(-c2ccc(Cl)c(Br)c2)c(-c2ccncc2)c1N
InChIInChI=1S/C15H12BrClN4/c1-21-15(18)13(9-4-6-19-7-5-9)14(20-21)10-2-3-12(17)11(16)8-10/h2-8H,18H2,1H3
InChIKeyDUDXDDOLCYUFLZ-UHFFFAOYSA-N
XLogP4.15
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.65
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,4-dichlorophenyl)-1-methyl-4-phenylpyrazol-5-amine
CID 43336366
3-(4-methoxyphenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-amine
CID 80523679
4-(3,4-dichlorophenyl)-1-methyl-3-pyrimidin-5-ylpyrazol-5-amine
CID 102921972
4-(4-chlorophenyl)-1-methyl-3-pyridazin-4-ylpyrazol-5-amine
CID 104670653
3-(2,4-dimethylphenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-amine
CID 80525113
3-(3-bromophenyl)-4-(4-fluorophenyl)-1-methylpyrazol-5-amine
CID 43336493
3-(3-bromo-4-methylphenyl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine
CID 81460629
3-(2-iodophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-amine
CID 80524493
3-(5-bromofuran-2-yl)-4-(4-chlorophenyl)-1-methylpyrazol-5-amine
CID 43336443
3-(5-chlorofuran-2-yl)-4-(3,4-dichlorophenyl)-1-methylpyrazol-5-amine
CID 106687598
4-(4-bromophenyl)-1-methyl-3-(5-methylfuran-3-yl)pyrazol-5-amine
CID 114821046
3-(4-bromophenyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine
CID 80523124

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-4-chlorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-amine?
The IUPAC name of 3-(3-bromo-4-chlorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-amine (CID 107988643) is 3-(3-bromo-4-chlorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-amine.
What is the SMILES notation for 3-(3-bromo-4-chlorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-amine?
The canonical SMILES for 3-(3-bromo-4-chlorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-amine is Cn1nc(-c2ccc(Cl)c(Br)c2)c(-c2ccncc2)c1N.
What is the InChIKey of 3-(3-bromo-4-chlorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-amine?
The InChIKey is DUDXDDOLCYUFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClN4/c1-21-15(18)13(9-4-6-19-7-5-9)14(20-21)10-2-3-12(17)11(16)8-10/h2-8H,18H2,1H3.
What are the key properties of 3-(3-bromo-4-chlorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-amine?
3-(3-bromo-4-chlorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-amine has a molecular weight of 363.65 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-4-chlorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-amine is sourced from PubChem (CID 107988643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).