4-(3-chlorophenyl)-3-(4-chlorophenyl)-1-methylpyrazol-5-amine

C16H13Cl2N3 — CID 43158527

IUPAC4-(3-chlorophenyl)-3-(4-chlorophenyl)-1-methylpyrazol-5-amine
SMILESCn1nc(-c2ccc(Cl)cc2)c(-c2cccc(Cl)c2)c1N
InChIInChI=1S/C16H13Cl2N3/c1-21-16(19)14(11-3-2-4-13(18)9-11)15(20-21)10-5-7-12(17)8-6-10/h2-9H,19H2,1H3
InChIKeyQJIKBRIYQVJQFY-UHFFFAOYSA-N
MW318.21 g/mol
LogP4.64
Rot. Bonds2

About 4-(3-chlorophenyl)-3-(4-chlorophenyl)-1-methylpyrazol-5-amine

4-(3-chlorophenyl)-3-(4-chlorophenyl)-1-methylpyrazol-5-amine (PubChem CID 43158527) has the molecular formula C16H13Cl2N3 and a molecular weight of 318.21 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-3-(4-chlorophenyl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-(3-chlorophenyl)-3-(4-chlorophenyl)-1-methylpyrazol-5-amine
PubChem CID43158527
Molecular FormulaC16H13Cl2N3
Molecular Weight318.21 g/mol
Exact Mass317.05
IUPAC Name4-(3-chlorophenyl)-3-(4-chlorophenyl)-1-methylpyrazol-5-amine
SMILESCn1nc(-c2ccc(Cl)cc2)c(-c2cccc(Cl)c2)c1N
InChIInChI=1S/C16H13Cl2N3/c1-21-16(19)14(11-3-2-4-13(18)9-11)15(20-21)10-5-7-12(17)8-6-10/h2-9H,19H2,1H3
InChIKeyQJIKBRIYQVJQFY-UHFFFAOYSA-N
XLogP4.64
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.21
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[5-amino-4-(3-chlorophenyl)-1-methylpyrazol-3-yl]-1H-pyridin-2-one
CID 136710573
3-(5-bromofuran-2-yl)-4-(3-chlorophenyl)-1-methylpyrazol-5-amine
CID 43336312
4-(3-chlorophenyl)-3-(2,5-dibromothiophen-3-yl)-1-methylpyrazol-5-amine
CID 107962606
3-(3-chloro-5-methylphenyl)-1-methyl-4-phenylpyrazol-5-amine
CID 81317120
4-(3-chlorophenyl)-3-(4-methoxythiophen-2-yl)-1-methylpyrazol-5-amine
CID 81122516
3-(3,4-dichlorophenyl)-1-methyl-4-phenylpyrazol-5-amine
CID 43336366
4-(3-chlorophenyl)-3-cyclopropyl-1-methylpyrazol-5-amine
CID 43158522
4-(3-chlorophenyl)-3-[(dimethylamino)methyl]-1-methylpyrazol-5-amine
CID 83813957
4-(4-chlorophenyl)-1-methyl-3-pyridazin-4-ylpyrazol-5-amine
CID 104670653
5-(3-chlorophenyl)-3-methylimidazol-4-amine
CID 53275817
5-[5-amino-4-(4-chlorophenyl)-1-methylpyrazol-3-yl]-1H-pyridin-2-one
CID 136710576
4-(3-chlorophenyl)-1-methyl-3-pentan-2-ylpyrazol-5-amine
CID 43336306

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-3-(4-chlorophenyl)-1-methylpyrazol-5-amine?
The IUPAC name of 4-(3-chlorophenyl)-3-(4-chlorophenyl)-1-methylpyrazol-5-amine (CID 43158527) is 4-(3-chlorophenyl)-3-(4-chlorophenyl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-(3-chlorophenyl)-3-(4-chlorophenyl)-1-methylpyrazol-5-amine?
The canonical SMILES for 4-(3-chlorophenyl)-3-(4-chlorophenyl)-1-methylpyrazol-5-amine is Cn1nc(-c2ccc(Cl)cc2)c(-c2cccc(Cl)c2)c1N.
What is the InChIKey of 4-(3-chlorophenyl)-3-(4-chlorophenyl)-1-methylpyrazol-5-amine?
The InChIKey is QJIKBRIYQVJQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N3/c1-21-16(19)14(11-3-2-4-13(18)9-11)15(20-21)10-5-7-12(17)8-6-10/h2-9H,19H2,1H3.
What are the key properties of 4-(3-chlorophenyl)-3-(4-chlorophenyl)-1-methylpyrazol-5-amine?
4-(3-chlorophenyl)-3-(4-chlorophenyl)-1-methylpyrazol-5-amine has a molecular weight of 318.21 g/mol, XLogP of 4.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-3-(4-chlorophenyl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 43158527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).