3-(3,4-dichlorophenyl)-1-methyl-4-phenylpyrazol-5-amine

C16H13Cl2N3 — CID 43336366

IUPAC3-(3,4-dichlorophenyl)-1-methyl-4-phenylpyrazol-5-amine
SMILESCn1nc(-c2ccc(Cl)c(Cl)c2)c(-c2ccccc2)c1N
InChIInChI=1S/C16H13Cl2N3/c1-21-16(19)14(10-5-3-2-4-6-10)15(20-21)11-7-8-12(17)13(18)9-11/h2-9H,19H2,1H3
InChIKeyJKNSVFARSMZXOC-UHFFFAOYSA-N
MW318.21 g/mol
LogP4.64
Rot. Bonds2

About 3-(3,4-dichlorophenyl)-1-methyl-4-phenylpyrazol-5-amine

3-(3,4-dichlorophenyl)-1-methyl-4-phenylpyrazol-5-amine (PubChem CID 43336366) has the molecular formula C16H13Cl2N3 and a molecular weight of 318.21 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-1-methyl-4-phenylpyrazol-5-amine.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-1-methyl-4-phenylpyrazol-5-amine
PubChem CID43336366
Molecular FormulaC16H13Cl2N3
Molecular Weight318.21 g/mol
Exact Mass317.05
IUPAC Name3-(3,4-dichlorophenyl)-1-methyl-4-phenylpyrazol-5-amine
SMILESCn1nc(-c2ccc(Cl)c(Cl)c2)c(-c2ccccc2)c1N
InChIInChI=1S/C16H13Cl2N3/c1-21-16(19)14(10-5-3-2-4-6-10)15(20-21)11-7-8-12(17)13(18)9-11/h2-9H,19H2,1H3
InChIKeyJKNSVFARSMZXOC-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

3-(3-chloro-5-methylphenyl)-1-methyl-4-phenylpyrazol-5-amine
CID 81317120
4-(3,4-dichlorophenyl)-1-methyl-3-pyrimidin-5-ylpyrazol-5-amine
CID 102921972
3-(3-bromo-4-chlorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-amine
CID 107988643
3-(5-chlorofuran-2-yl)-4-(3,4-dichlorophenyl)-1-methylpyrazol-5-amine
CID 106687598
4-(3-chlorophenyl)-3-(4-chlorophenyl)-1-methylpyrazol-5-amine
CID 43158527
1-methyl-3-(1-methylimidazol-4-yl)-4-phenylpyrazol-5-amine
CID 107972517
3-(5-iodothiophen-3-yl)-1-methyl-4-phenylpyrazol-5-amine
CID 79693966
3-(3-bromophenyl)-4-(4-fluorophenyl)-1-methylpyrazol-5-amine
CID 43336493
4-(3-chloro-2-fluorophenyl)-1-methyl-3-phenylpyrazol-5-amine
CID 82789468
4-(2,6-dichlorophenyl)-1-methyl-3-(5-methylfuran-3-yl)pyrazol-5-amine
CID 114821040
3-(2,3-dimethylphenyl)-1-methyl-4-phenylpyrazol-5-amine
CID 43336371
3-(4-bromo-2-methylphenyl)-1-methyl-4-phenylpyrazol-5-amine
CID 43629973

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-1-methyl-4-phenylpyrazol-5-amine?
The IUPAC name of 3-(3,4-dichlorophenyl)-1-methyl-4-phenylpyrazol-5-amine (CID 43336366) is 3-(3,4-dichlorophenyl)-1-methyl-4-phenylpyrazol-5-amine.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-1-methyl-4-phenylpyrazol-5-amine?
The canonical SMILES for 3-(3,4-dichlorophenyl)-1-methyl-4-phenylpyrazol-5-amine is Cn1nc(-c2ccc(Cl)c(Cl)c2)c(-c2ccccc2)c1N.
What is the InChIKey of 3-(3,4-dichlorophenyl)-1-methyl-4-phenylpyrazol-5-amine?
The InChIKey is JKNSVFARSMZXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N3/c1-21-16(19)14(10-5-3-2-4-6-10)15(20-21)11-7-8-12(17)13(18)9-11/h2-9H,19H2,1H3.
What are the key properties of 3-(3,4-dichlorophenyl)-1-methyl-4-phenylpyrazol-5-amine?
3-(3,4-dichlorophenyl)-1-methyl-4-phenylpyrazol-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 3-(3,4-dichlorophenyl)-1-methyl-4-phenylpyrazol-5-amine is sourced from PubChem (CID 43336366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).