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

C16H14ClN3 — CID 62830136

IUPAC5-(2-chlorophenyl)-4-(4-methylphenyl)-1H-pyrazol-3-amine
SMILESCc1ccc(-c2c(N)n[nH]c2-c2ccccc2Cl)cc1
InChIInChI=1S/C16H14ClN3/c1-10-6-8-11(9-7-10)14-15(19-20-16(14)18)12-4-2-3-5-13(12)17/h2-9H,1H3,(H3,18,19,20)
InChIKeyDOMVLLKAMJNTIQ-UHFFFAOYSA-N
MW283.76 g/mol
LogP4.29
Rot. Bonds2

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

5-(2-chlorophenyl)-4-(4-methylphenyl)-1H-pyrazol-3-amine (PubChem CID 62830136) has the molecular formula C16H14ClN3 and a molecular weight of 283.76 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-4-(4-methylphenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(2-chlorophenyl)-4-(4-methylphenyl)-1H-pyrazol-3-amine
PubChem CID62830136
Molecular FormulaC16H14ClN3
Molecular Weight283.76 g/mol
Exact Mass283.09
IUPAC Name5-(2-chlorophenyl)-4-(4-methylphenyl)-1H-pyrazol-3-amine
SMILESCc1ccc(-c2c(N)n[nH]c2-c2ccccc2Cl)cc1
InChIInChI=1S/C16H14ClN3/c1-10-6-8-11(9-7-10)14-15(19-20-16(14)18)12-4-2-3-5-13(12)17/h2-9H,1H3,(H3,18,19,20)
InChIKeyDOMVLLKAMJNTIQ-UHFFFAOYSA-N
XLogP4.29
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-4-(4-methylphenyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(2-chlorophenyl)-4-(4-methylphenyl)-1H-pyrazol-3-amine (CID 62830136) is 5-(2-chlorophenyl)-4-(4-methylphenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(2-chlorophenyl)-4-(4-methylphenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(2-chlorophenyl)-4-(4-methylphenyl)-1H-pyrazol-3-amine is Cc1ccc(-c2c(N)n[nH]c2-c2ccccc2Cl)cc1.
What is the InChIKey of 5-(2-chlorophenyl)-4-(4-methylphenyl)-1H-pyrazol-3-amine?
The InChIKey is DOMVLLKAMJNTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3/c1-10-6-8-11(9-7-10)14-15(19-20-16(14)18)12-4-2-3-5-13(12)17/h2-9H,1H3,(H3,18,19,20).
What are the key properties of 5-(2-chlorophenyl)-4-(4-methylphenyl)-1H-pyrazol-3-amine?
5-(2-chlorophenyl)-4-(4-methylphenyl)-1H-pyrazol-3-amine has a molecular weight of 283.76 g/mol, XLogP of 4.29, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-4-(4-methylphenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 62830136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).