N-(4,5-diphenyl-1H-pyrazol-3-yl)pyridin-2-amine

C20H16N4 — CID 75511476

IUPACN-(4,5-diphenyl-1H-pyrazol-3-yl)pyridin-2-amine
SMILESc1ccc(-c2[nH]nc(Nc3ccccn3)c2-c2ccccc2)cc1
InChIInChI=1S/C20H16N4/c1-3-9-15(10-4-1)18-19(16-11-5-2-6-12-16)23-24-20(18)22-17-13-7-8-14-21-17/h1-14H,(H2,21,22,23,24)
InChIKeyNVPLASZOJOEZOV-UHFFFAOYSA-N
MW312.38 g/mol
LogP4.88
Rot. Bonds4

About N-(4,5-diphenyl-1H-pyrazol-3-yl)pyridin-2-amine

N-(4,5-diphenyl-1H-pyrazol-3-yl)pyridin-2-amine (PubChem CID 75511476) has the molecular formula C20H16N4 and a molecular weight of 312.38 g/mol. Its IUPAC name is N-(4,5-diphenyl-1H-pyrazol-3-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-(4,5-diphenyl-1H-pyrazol-3-yl)pyridin-2-amine
PubChem CID75511476
Molecular FormulaC20H16N4
Molecular Weight312.38 g/mol
Exact Mass312.14
IUPAC NameN-(4,5-diphenyl-1H-pyrazol-3-yl)pyridin-2-amine
SMILESc1ccc(-c2[nH]nc(Nc3ccccn3)c2-c2ccccc2)cc1
InChIInChI=1S/C20H16N4/c1-3-9-15(10-4-1)18-19(16-11-5-2-6-12-16)23-24-20(18)22-17-13-7-8-14-21-17/h1-14H,(H2,21,22,23,24)
InChIKeyNVPLASZOJOEZOV-UHFFFAOYSA-N
XLogP4.88
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-diphenyl-1H-pyrazol-3-yl)pyridin-2-amine?
The IUPAC name of N-(4,5-diphenyl-1H-pyrazol-3-yl)pyridin-2-amine (CID 75511476) is N-(4,5-diphenyl-1H-pyrazol-3-yl)pyridin-2-amine.
What is the SMILES notation for N-(4,5-diphenyl-1H-pyrazol-3-yl)pyridin-2-amine?
The canonical SMILES for N-(4,5-diphenyl-1H-pyrazol-3-yl)pyridin-2-amine is c1ccc(-c2[nH]nc(Nc3ccccn3)c2-c2ccccc2)cc1.
What is the InChIKey of N-(4,5-diphenyl-1H-pyrazol-3-yl)pyridin-2-amine?
The InChIKey is NVPLASZOJOEZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4/c1-3-9-15(10-4-1)18-19(16-11-5-2-6-12-16)23-24-20(18)22-17-13-7-8-14-21-17/h1-14H,(H2,21,22,23,24).
What are the key properties of N-(4,5-diphenyl-1H-pyrazol-3-yl)pyridin-2-amine?
N-(4,5-diphenyl-1H-pyrazol-3-yl)pyridin-2-amine has a molecular weight of 312.38 g/mol, XLogP of 4.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-diphenyl-1H-pyrazol-3-yl)pyridin-2-amine is sourced from PubChem (CID 75511476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).