4-(3-chlorophenyl)-3-(2,5-dibromothiophen-3-yl)-1-methylpyrazol-5-amine

C14H10Br2ClN3S — CID 107962606

IUPAC4-(3-chlorophenyl)-3-(2,5-dibromothiophen-3-yl)-1-methylpyrazol-5-amine
SMILESCn1nc(-c2cc(Br)sc2Br)c(-c2cccc(Cl)c2)c1N
InChIInChI=1S/C14H10Br2ClN3S/c1-20-14(18)11(7-3-2-4-8(17)5-7)12(19-20)9-6-10(15)21-13(9)16/h2-6H,18H2,1H3
InChIKeyMXNVDXOEQYTWDA-UHFFFAOYSA-N
MW447.58 g/mol
LogP5.58
Rot. Bonds2

About 4-(3-chlorophenyl)-3-(2,5-dibromothiophen-3-yl)-1-methylpyrazol-5-amine

4-(3-chlorophenyl)-3-(2,5-dibromothiophen-3-yl)-1-methylpyrazol-5-amine (PubChem CID 107962606) has the molecular formula C14H10Br2ClN3S and a molecular weight of 447.58 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-3-(2,5-dibromothiophen-3-yl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-(3-chlorophenyl)-3-(2,5-dibromothiophen-3-yl)-1-methylpyrazol-5-amine
PubChem CID107962606
Molecular FormulaC14H10Br2ClN3S
Molecular Weight447.58 g/mol
Exact Mass444.87
IUPAC Name4-(3-chlorophenyl)-3-(2,5-dibromothiophen-3-yl)-1-methylpyrazol-5-amine
SMILESCn1nc(-c2cc(Br)sc2Br)c(-c2cccc(Cl)c2)c1N
InChIInChI=1S/C14H10Br2ClN3S/c1-20-14(18)11(7-3-2-4-8(17)5-7)12(19-20)9-6-10(15)21-13(9)16/h2-6H,18H2,1H3
InChIKeyMXNVDXOEQYTWDA-UHFFFAOYSA-N
XLogP5.58
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.58
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-chlorophenyl)-3-(4-chlorophenyl)-1-methylpyrazol-5-amine
CID 43158527
3-(5-bromofuran-2-yl)-4-(3-chlorophenyl)-1-methylpyrazol-5-amine
CID 43336312
3-(2,5-dibromothiophen-3-yl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine
CID 107962694
5-[5-amino-4-(3-chlorophenyl)-1-methylpyrazol-3-yl]-1H-pyridin-2-one
CID 136710573
4-(3-chlorophenyl)-3-(4-methoxythiophen-2-yl)-1-methylpyrazol-5-amine
CID 81122516
4-(3-chlorophenyl)-3-cyclopropyl-1-methylpyrazol-5-amine
CID 43158522
4-(3-bromophenyl)-3-(2-iodophenyl)-1-methylpyrazol-5-amine
CID 43560840
4-(3-chlorophenyl)-3-[(dimethylamino)methyl]-1-methylpyrazol-5-amine
CID 83813957
3-(5-bromo-4-methylthiophen-2-yl)-1-methyl-4-phenylpyrazol-5-amine
CID 79990533
3-(2-chlorofuran-3-yl)-4-(3-fluorophenyl)-1-methylpyrazol-5-amine
CID 106687548
3-(3-chloro-5-methylphenyl)-1-methyl-4-phenylpyrazol-5-amine
CID 81317120
3-(2,5-dichlorophenyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine
CID 80522471

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-3-(2,5-dibromothiophen-3-yl)-1-methylpyrazol-5-amine?
The IUPAC name of 4-(3-chlorophenyl)-3-(2,5-dibromothiophen-3-yl)-1-methylpyrazol-5-amine (CID 107962606) is 4-(3-chlorophenyl)-3-(2,5-dibromothiophen-3-yl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-(3-chlorophenyl)-3-(2,5-dibromothiophen-3-yl)-1-methylpyrazol-5-amine?
The canonical SMILES for 4-(3-chlorophenyl)-3-(2,5-dibromothiophen-3-yl)-1-methylpyrazol-5-amine is Cn1nc(-c2cc(Br)sc2Br)c(-c2cccc(Cl)c2)c1N.
What is the InChIKey of 4-(3-chlorophenyl)-3-(2,5-dibromothiophen-3-yl)-1-methylpyrazol-5-amine?
The InChIKey is MXNVDXOEQYTWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2ClN3S/c1-20-14(18)11(7-3-2-4-8(17)5-7)12(19-20)9-6-10(15)21-13(9)16/h2-6H,18H2,1H3.
What are the key properties of 4-(3-chlorophenyl)-3-(2,5-dibromothiophen-3-yl)-1-methylpyrazol-5-amine?
4-(3-chlorophenyl)-3-(2,5-dibromothiophen-3-yl)-1-methylpyrazol-5-amine has a molecular weight of 447.58 g/mol, XLogP of 5.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-3-(2,5-dibromothiophen-3-yl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 107962606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).