3-N,5-N-diphenyl-1H-pyrazole-3,5-diamine

C15H14N4 — CID 2322334

IUPAC3-N,5-N-diphenyl-1H-pyrazole-3,5-diamine
SMILESc1ccc(Nc2cc(Nc3ccccc3)[nH]n2)cc1
InChIInChI=1S/C15H14N4/c1-3-7-12(8-4-1)16-14-11-15(19-18-14)17-13-9-5-2-6-10-13/h1-11H,(H3,16,17,18,19)
InChIKeyLINHOSSSJLYLGM-UHFFFAOYSA-N
MW250.31 g/mol
LogP3.90
Rot. Bonds4

About 3-N,5-N-diphenyl-1H-pyrazole-3,5-diamine

3-N,5-N-diphenyl-1H-pyrazole-3,5-diamine (PubChem CID 2322334) has the molecular formula C15H14N4 and a molecular weight of 250.31 g/mol. Its IUPAC name is 3-N,5-N-diphenyl-1H-pyrazole-3,5-diamine.

Molecular Properties

Compound Name3-N,5-N-diphenyl-1H-pyrazole-3,5-diamine
PubChem CID2322334
Molecular FormulaC15H14N4
Molecular Weight250.31 g/mol
Exact Mass250.12
IUPAC Name3-N,5-N-diphenyl-1H-pyrazole-3,5-diamine
SMILESc1ccc(Nc2cc(Nc3ccccc3)[nH]n2)cc1
InChIInChI=1S/C15H14N4/c1-3-7-12(8-4-1)16-14-11-15(19-18-14)17-13-9-5-2-6-10-13/h1-11H,(H3,16,17,18,19)
InChIKeyLINHOSSSJLYLGM-UHFFFAOYSA-N
XLogP3.90
TPSA52.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-N,5-N-diphenyl-1H-pyrazole-3,5-diamine?
The IUPAC name of 3-N,5-N-diphenyl-1H-pyrazole-3,5-diamine (CID 2322334) is 3-N,5-N-diphenyl-1H-pyrazole-3,5-diamine.
What is the SMILES notation for 3-N,5-N-diphenyl-1H-pyrazole-3,5-diamine?
The canonical SMILES for 3-N,5-N-diphenyl-1H-pyrazole-3,5-diamine is c1ccc(Nc2cc(Nc3ccccc3)[nH]n2)cc1.
What is the InChIKey of 3-N,5-N-diphenyl-1H-pyrazole-3,5-diamine?
The InChIKey is LINHOSSSJLYLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4/c1-3-7-12(8-4-1)16-14-11-15(19-18-14)17-13-9-5-2-6-10-13/h1-11H,(H3,16,17,18,19).
What are the key properties of 3-N,5-N-diphenyl-1H-pyrazole-3,5-diamine?
3-N,5-N-diphenyl-1H-pyrazole-3,5-diamine has a molecular weight of 250.31 g/mol, XLogP of 3.90, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,5-N-diphenyl-1H-pyrazole-3,5-diamine is sourced from PubChem (CID 2322334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).