4-N-(4-methylphenyl)-5-phenyl-1H-pyrazole-3,4-diamine

C16H16N4 — CID 56999952

IUPAC4-N-(4-methylphenyl)-5-phenyl-1H-pyrazole-3,4-diamine
SMILESCc1ccc(Nc2c(N)n[nH]c2-c2ccccc2)cc1
InChIInChI=1S/C16H16N4/c1-11-7-9-13(10-8-11)18-15-14(19-20-16(15)17)12-5-3-2-4-6-12/h2-10,18H,1H3,(H3,17,19,20)
InChIKeyWFZLNSKSSTVHIK-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.71
Rot. Bonds3

About 4-N-(4-methylphenyl)-5-phenyl-1H-pyrazole-3,4-diamine

4-N-(4-methylphenyl)-5-phenyl-1H-pyrazole-3,4-diamine (PubChem CID 56999952) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is 4-N-(4-methylphenyl)-5-phenyl-1H-pyrazole-3,4-diamine.

Molecular Properties

Compound Name4-N-(4-methylphenyl)-5-phenyl-1H-pyrazole-3,4-diamine
PubChem CID56999952
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC Name4-N-(4-methylphenyl)-5-phenyl-1H-pyrazole-3,4-diamine
SMILESCc1ccc(Nc2c(N)n[nH]c2-c2ccccc2)cc1
InChIInChI=1S/C16H16N4/c1-11-7-9-13(10-8-11)18-15-14(19-20-16(15)17)12-5-3-2-4-6-12/h2-10,18H,1H3,(H3,17,19,20)
InChIKeyWFZLNSKSSTVHIK-UHFFFAOYSA-N
XLogP3.71
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-N-(4-methylphenyl)-5-phenyl-1H-pyrazole-3,4-diamine?
The IUPAC name of 4-N-(4-methylphenyl)-5-phenyl-1H-pyrazole-3,4-diamine (CID 56999952) is 4-N-(4-methylphenyl)-5-phenyl-1H-pyrazole-3,4-diamine.
What is the SMILES notation for 4-N-(4-methylphenyl)-5-phenyl-1H-pyrazole-3,4-diamine?
The canonical SMILES for 4-N-(4-methylphenyl)-5-phenyl-1H-pyrazole-3,4-diamine is Cc1ccc(Nc2c(N)n[nH]c2-c2ccccc2)cc1.
What is the InChIKey of 4-N-(4-methylphenyl)-5-phenyl-1H-pyrazole-3,4-diamine?
The InChIKey is WFZLNSKSSTVHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c1-11-7-9-13(10-8-11)18-15-14(19-20-16(15)17)12-5-3-2-4-6-12/h2-10,18H,1H3,(H3,17,19,20).
What are the key properties of 4-N-(4-methylphenyl)-5-phenyl-1H-pyrazole-3,4-diamine?
4-N-(4-methylphenyl)-5-phenyl-1H-pyrazole-3,4-diamine has a molecular weight of 264.33 g/mol, XLogP of 3.71, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-methylphenyl)-5-phenyl-1H-pyrazole-3,4-diamine is sourced from PubChem (CID 56999952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).