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

C20H17N5 — CID 10268287

IUPACN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine
SMILESc1ccc(-c2nc(Nc3cc(C4CC4)[nH]n3)c3ccccc3n2)cc1
InChIInChI=1S/C20H17N5/c1-2-6-14(7-3-1)19-21-16-9-5-4-8-15(16)20(23-19)22-18-12-17(24-25-18)13-10-11-13/h1-9,12-13H,10-11H2,(H2,21,22,23,24,25)
InChIKeyZEBQWHPMCNQVSA-UHFFFAOYSA-N
MW327.39 g/mol
LogP4.64
Rot. Bonds4

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

N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine (PubChem CID 10268287) has the molecular formula C20H17N5 and a molecular weight of 327.39 g/mol. Its IUPAC name is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine.

Molecular Properties

Compound NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine
PubChem CID10268287
Molecular FormulaC20H17N5
Molecular Weight327.39 g/mol
Exact Mass327.15
IUPAC NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine
SMILESc1ccc(-c2nc(Nc3cc(C4CC4)[nH]n3)c3ccccc3n2)cc1
InChIInChI=1S/C20H17N5/c1-2-6-14(7-3-1)19-21-16-9-5-4-8-15(16)20(23-19)22-18-12-17(24-25-18)13-10-11-13/h1-9,12-13H,10-11H2,(H2,21,22,23,24,25)
InChIKeyZEBQWHPMCNQVSA-UHFFFAOYSA-N
XLogP4.64
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine?
The IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine (CID 10268287) is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine.
What is the SMILES notation for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine?
The canonical SMILES for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine is c1ccc(-c2nc(Nc3cc(C4CC4)[nH]n3)c3ccccc3n2)cc1.
What is the InChIKey of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine?
The InChIKey is ZEBQWHPMCNQVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5/c1-2-6-14(7-3-1)19-21-16-9-5-4-8-15(16)20(23-19)22-18-12-17(24-25-18)13-10-11-13/h1-9,12-13H,10-11H2,(H2,21,22,23,24,25).
What are the key properties of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine?
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine has a molecular weight of 327.39 g/mol, XLogP of 4.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine is sourced from PubChem (CID 10268287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).