3-(2-chlorophenyl)-1-(4-methylphenyl)pyrazol-5-amine

C16H14ClN3 — CID 5044574

IUPAC3-(2-chlorophenyl)-1-(4-methylphenyl)pyrazol-5-amine
SMILESCc1ccc(-n2nc(-c3ccccc3Cl)cc2N)cc1
InChIInChI=1S/C16H14ClN3/c1-11-6-8-12(9-7-11)20-16(18)10-15(19-20)13-4-2-3-5-14(13)17/h2-10H,18H2,1H3
InChIKeyQNNONQKHTBIYRR-UHFFFAOYSA-N
MW283.76 g/mol
LogP4.08
Rot. Bonds2

About 3-(2-chlorophenyl)-1-(4-methylphenyl)pyrazol-5-amine

3-(2-chlorophenyl)-1-(4-methylphenyl)pyrazol-5-amine (PubChem CID 5044574) has the molecular formula C16H14ClN3 and a molecular weight of 283.76 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-1-(4-methylphenyl)pyrazol-5-amine.

Molecular Properties

Compound Name3-(2-chlorophenyl)-1-(4-methylphenyl)pyrazol-5-amine
PubChem CID5044574
Molecular FormulaC16H14ClN3
Molecular Weight283.76 g/mol
Exact Mass283.09
IUPAC Name3-(2-chlorophenyl)-1-(4-methylphenyl)pyrazol-5-amine
SMILESCc1ccc(-n2nc(-c3ccccc3Cl)cc2N)cc1
InChIInChI=1S/C16H14ClN3/c1-11-6-8-12(9-7-11)20-16(18)10-15(19-20)13-4-2-3-5-14(13)17/h2-10H,18H2,1H3
InChIKeyQNNONQKHTBIYRR-UHFFFAOYSA-N
XLogP4.08
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Pyrazole, 5-amino-3-(p-aminophenyl)-1-phenyl-
CID 202779
3-Methyl-1-(2-methylphenyl)-1H-pyrazol-5-amine
CID 775688
1H-Pyrazol-5-amine, 1-(4-chlorophenyl)-3-methyl-
CID 170301
3-Methyl-1,4-diphenyl-1H-pyrazol-5-amine
CID 619285
1-(3-chlorophenyl)-4-phenyl-1H-pyrazol-5-ylamine
CID 3717260
1,3-Diphenyl-1H-pyrazol-5-amine
CID 199969
3-(4-Chlorophenyl)-1-Methyl-1H-Pyrazol-5-Amine
CID 2735304
1-(4-Fluorophenyl)-3-(4-methylphenyl)-1H-pyrazol-5-amine
CID 1478026
3-(3-Methylphenyl)-1-phenyl-1H-pyrazol-5-ylamine
CID 2060622
3-(4-ethylphenyl)-1-phenyl-1H-pyrazol-5-amine
CID 2517678
3-methyl-1-(3-methylphenyl)-1H-pyrazol-5-amine
CID 936840
3-(4-Chlorophenyl)-1-phenyl-1H-pyrazol-5-amine
CID 2769585

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-1-(4-methylphenyl)pyrazol-5-amine?
The IUPAC name of 3-(2-chlorophenyl)-1-(4-methylphenyl)pyrazol-5-amine (CID 5044574) is 3-(2-chlorophenyl)-1-(4-methylphenyl)pyrazol-5-amine.
What is the SMILES notation for 3-(2-chlorophenyl)-1-(4-methylphenyl)pyrazol-5-amine?
The canonical SMILES for 3-(2-chlorophenyl)-1-(4-methylphenyl)pyrazol-5-amine is Cc1ccc(-n2nc(-c3ccccc3Cl)cc2N)cc1.
What is the InChIKey of 3-(2-chlorophenyl)-1-(4-methylphenyl)pyrazol-5-amine?
The InChIKey is QNNONQKHTBIYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3/c1-11-6-8-12(9-7-11)20-16(18)10-15(19-20)13-4-2-3-5-14(13)17/h2-10H,18H2,1H3.
What are the key properties of 3-(2-chlorophenyl)-1-(4-methylphenyl)pyrazol-5-amine?
3-(2-chlorophenyl)-1-(4-methylphenyl)pyrazol-5-amine has a molecular weight of 283.76 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-1-(4-methylphenyl)pyrazol-5-amine is sourced from PubChem (CID 5044574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).