N-(4-methylphenyl)-2-phenyl-6-pyrazol-1-ylpyrimidin-4-amine

C20H17N5 — CID 796113

IUPACN-(4-methylphenyl)-2-phenyl-6-pyrazol-1-ylpyrimidin-4-amine
SMILESCc1ccc(Nc2cc(-n3cccn3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C20H17N5/c1-15-8-10-17(11-9-15)22-18-14-19(25-13-5-12-21-25)24-20(23-18)16-6-3-2-4-7-16/h2-14H,1H3,(H,22,23,24)
InChIKeyXRFQKXXHOKBDBB-UHFFFAOYSA-N
MW327.39 g/mol
LogP4.38
Rot. Bonds4

About N-(4-methylphenyl)-2-phenyl-6-pyrazol-1-ylpyrimidin-4-amine

N-(4-methylphenyl)-2-phenyl-6-pyrazol-1-ylpyrimidin-4-amine (PubChem CID 796113) has the molecular formula C20H17N5 and a molecular weight of 327.39 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-phenyl-6-pyrazol-1-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-phenyl-6-pyrazol-1-ylpyrimidin-4-amine
PubChem CID796113
Molecular FormulaC20H17N5
Molecular Weight327.39 g/mol
Exact Mass327.15
IUPAC NameN-(4-methylphenyl)-2-phenyl-6-pyrazol-1-ylpyrimidin-4-amine
SMILESCc1ccc(Nc2cc(-n3cccn3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C20H17N5/c1-15-8-10-17(11-9-15)22-18-14-19(25-13-5-12-21-25)24-20(23-18)16-6-3-2-4-7-16/h2-14H,1H3,(H,22,23,24)
InChIKeyXRFQKXXHOKBDBB-UHFFFAOYSA-N
XLogP4.38
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-phenyl-6-pyrazol-1-ylpyrimidin-4-amine?
The IUPAC name of N-(4-methylphenyl)-2-phenyl-6-pyrazol-1-ylpyrimidin-4-amine (CID 796113) is N-(4-methylphenyl)-2-phenyl-6-pyrazol-1-ylpyrimidin-4-amine.
What is the SMILES notation for N-(4-methylphenyl)-2-phenyl-6-pyrazol-1-ylpyrimidin-4-amine?
The canonical SMILES for N-(4-methylphenyl)-2-phenyl-6-pyrazol-1-ylpyrimidin-4-amine is Cc1ccc(Nc2cc(-n3cccn3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-phenyl-6-pyrazol-1-ylpyrimidin-4-amine?
The InChIKey is XRFQKXXHOKBDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5/c1-15-8-10-17(11-9-15)22-18-14-19(25-13-5-12-21-25)24-20(23-18)16-6-3-2-4-7-16/h2-14H,1H3,(H,22,23,24).
What are the key properties of N-(4-methylphenyl)-2-phenyl-6-pyrazol-1-ylpyrimidin-4-amine?
N-(4-methylphenyl)-2-phenyl-6-pyrazol-1-ylpyrimidin-4-amine has a molecular weight of 327.39 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-phenyl-6-pyrazol-1-ylpyrimidin-4-amine is sourced from PubChem (CID 796113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).