4,5-diphenyl-1H-pyrazol-3-amine

C15H13N3 — CID 737137

IUPAC4,5-diphenyl-1H-pyrazol-3-amine
SMILESNc1n[nH]c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C15H13N3/c16-15-13(11-7-3-1-4-8-11)14(17-18-15)12-9-5-2-6-10-12/h1-10H,(H3,16,17,18)
InChIKeyJWPUMLMBTPMEQA-UHFFFAOYSA-N
MW235.29 g/mol
LogP3.33
Rot. Bonds2

About 4,5-diphenyl-1H-pyrazol-3-amine

4,5-diphenyl-1H-pyrazol-3-amine (PubChem CID 737137) has the molecular formula C15H13N3 and a molecular weight of 235.29 g/mol. Its IUPAC name is 4,5-diphenyl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4,5-diphenyl-1H-pyrazol-3-amine
PubChem CID737137
Molecular FormulaC15H13N3
Molecular Weight235.29 g/mol
Exact Mass235.11
IUPAC Name4,5-diphenyl-1H-pyrazol-3-amine
SMILESNc1n[nH]c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C15H13N3/c16-15-13(11-7-3-1-4-8-11)14(17-18-15)12-9-5-2-6-10-12/h1-10H,(H3,16,17,18)
InChIKeyJWPUMLMBTPMEQA-UHFFFAOYSA-N
XLogP3.33
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-diphenyl-1H-pyrazol-3-amine?
The IUPAC name of 4,5-diphenyl-1H-pyrazol-3-amine (CID 737137) is 4,5-diphenyl-1H-pyrazol-3-amine.
What is the SMILES notation for 4,5-diphenyl-1H-pyrazol-3-amine?
The canonical SMILES for 4,5-diphenyl-1H-pyrazol-3-amine is Nc1n[nH]c(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 4,5-diphenyl-1H-pyrazol-3-amine?
The InChIKey is JWPUMLMBTPMEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3/c16-15-13(11-7-3-1-4-8-11)14(17-18-15)12-9-5-2-6-10-12/h1-10H,(H3,16,17,18).
What are the key properties of 4,5-diphenyl-1H-pyrazol-3-amine?
4,5-diphenyl-1H-pyrazol-3-amine has a molecular weight of 235.29 g/mol, XLogP of 3.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diphenyl-1H-pyrazol-3-amine is sourced from PubChem (CID 737137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).