N-(5-methyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine

C18H15N5 — CID 6419766

IUPACN-(5-methyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine
SMILESCc1cc(Nc2nc(-c3ccccc3)nc3ccccc23)n[nH]1
InChIInChI=1S/C18H15N5/c1-12-11-16(23-22-12)20-18-14-9-5-6-10-15(14)19-17(21-18)13-7-3-2-4-8-13/h2-11H,1H3,(H2,19,20,21,22,23)
InChIKeyJYCUVOXSZBECAY-UHFFFAOYSA-N
MW301.35 g/mol
LogP4.07
Rot. Bonds3

About N-(5-methyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine

N-(5-methyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine (PubChem CID 6419766) has the molecular formula C18H15N5 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-(5-methyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine.

Molecular Properties

Compound NameN-(5-methyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine
PubChem CID6419766
Molecular FormulaC18H15N5
Molecular Weight301.35 g/mol
Exact Mass301.13
IUPAC NameN-(5-methyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine
SMILESCc1cc(Nc2nc(-c3ccccc3)nc3ccccc23)n[nH]1
InChIInChI=1S/C18H15N5/c1-12-11-16(23-22-12)20-18-14-9-5-6-10-15(14)19-17(21-18)13-7-3-2-4-8-13/h2-11H,1H3,(H2,19,20,21,22,23)
InChIKeyJYCUVOXSZBECAY-UHFFFAOYSA-N
XLogP4.07
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine?
The IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine (CID 6419766) is N-(5-methyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine.
What is the SMILES notation for N-(5-methyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine?
The canonical SMILES for N-(5-methyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine is Cc1cc(Nc2nc(-c3ccccc3)nc3ccccc23)n[nH]1.
What is the InChIKey of N-(5-methyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine?
The InChIKey is JYCUVOXSZBECAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5/c1-12-11-16(23-22-12)20-18-14-9-5-6-10-15(14)19-17(21-18)13-7-3-2-4-8-13/h2-11H,1H3,(H2,19,20,21,22,23).
What are the key properties of N-(5-methyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine?
N-(5-methyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine has a molecular weight of 301.35 g/mol, XLogP of 4.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine is sourced from PubChem (CID 6419766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).