2-(5-cyclopentyl-1H-pyrazol-3-yl)-2-phenyl-1H-quinazolin-4-amine

C22H23N5 — CID 150751967

IUPAC2-(5-cyclopentyl-1H-pyrazol-3-yl)-2-phenyl-1H-quinazolin-4-amine
SMILESNC1=NC(c2ccccc2)(c2cc(C3CCCC3)[nH]n2)Nc2ccccc21
InChIInChI=1S/C22H23N5/c23-21-17-12-6-7-13-18(17)24-22(25-21,16-10-2-1-3-11-16)20-14-19(26-27-20)15-8-4-5-9-15/h1-3,6-7,10-15,24H,4-5,8-9H2,(H2,23,25)(H,26,27)
InChIKeyJWBAUXLQEPSOQX-UHFFFAOYSA-N
MW357.46 g/mol
LogP4.10
Rot. Bonds3

About 2-(5-cyclopentyl-1H-pyrazol-3-yl)-2-phenyl-1H-quinazolin-4-amine

2-(5-cyclopentyl-1H-pyrazol-3-yl)-2-phenyl-1H-quinazolin-4-amine (PubChem CID 150751967) has the molecular formula C22H23N5 and a molecular weight of 357.46 g/mol. Its IUPAC name is 2-(5-cyclopentyl-1H-pyrazol-3-yl)-2-phenyl-1H-quinazolin-4-amine.

Molecular Properties

Compound Name2-(5-cyclopentyl-1H-pyrazol-3-yl)-2-phenyl-1H-quinazolin-4-amine
PubChem CID150751967
Molecular FormulaC22H23N5
Molecular Weight357.46 g/mol
Exact Mass357.20
IUPAC Name2-(5-cyclopentyl-1H-pyrazol-3-yl)-2-phenyl-1H-quinazolin-4-amine
SMILESNC1=NC(c2ccccc2)(c2cc(C3CCCC3)[nH]n2)Nc2ccccc21
InChIInChI=1S/C22H23N5/c23-21-17-12-6-7-13-18(17)24-22(25-21,16-10-2-1-3-11-16)20-14-19(26-27-20)15-8-4-5-9-15/h1-3,6-7,10-15,24H,4-5,8-9H2,(H2,23,25)(H,26,27)
InChIKeyJWBAUXLQEPSOQX-UHFFFAOYSA-N
XLogP4.10
TPSA79.09 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 54.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-cyclopentyl-1H-pyrazol-3-yl)-2-phenyl-1H-quinazolin-4-amine?
The IUPAC name of 2-(5-cyclopentyl-1H-pyrazol-3-yl)-2-phenyl-1H-quinazolin-4-amine (CID 150751967) is 2-(5-cyclopentyl-1H-pyrazol-3-yl)-2-phenyl-1H-quinazolin-4-amine.
What is the SMILES notation for 2-(5-cyclopentyl-1H-pyrazol-3-yl)-2-phenyl-1H-quinazolin-4-amine?
The canonical SMILES for 2-(5-cyclopentyl-1H-pyrazol-3-yl)-2-phenyl-1H-quinazolin-4-amine is NC1=NC(c2ccccc2)(c2cc(C3CCCC3)[nH]n2)Nc2ccccc21.
What is the InChIKey of 2-(5-cyclopentyl-1H-pyrazol-3-yl)-2-phenyl-1H-quinazolin-4-amine?
The InChIKey is JWBAUXLQEPSOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5/c23-21-17-12-6-7-13-18(17)24-22(25-21,16-10-2-1-3-11-16)20-14-19(26-27-20)15-8-4-5-9-15/h1-3,6-7,10-15,24H,4-5,8-9H2,(H2,23,25)(H,26,27).
What are the key properties of 2-(5-cyclopentyl-1H-pyrazol-3-yl)-2-phenyl-1H-quinazolin-4-amine?
2-(5-cyclopentyl-1H-pyrazol-3-yl)-2-phenyl-1H-quinazolin-4-amine has a molecular weight of 357.46 g/mol, XLogP of 4.10, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyclopentyl-1H-pyrazol-3-yl)-2-phenyl-1H-quinazolin-4-amine is sourced from PubChem (CID 150751967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).